From 08dd2f5f2555e2ca46adea72339c301d0d962d97 Mon Sep 17 00:00:00 2001 From: BigDataInSilicoBiologyGroup Date: Wed, 24 Aug 2022 19:16:54 +0300 Subject: [PATCH 001/129] Files added in igemRNA folder --- analysis/igemRNA/IgemRNA.m | 309 + analysis/igemRNA/README.rst | 238 + analysis/igemRNA/data/MediumData.xlsx | Bin 0 -> 12941 bytes .../igemRNA/data/TranscriptomicsData.xlsx | Bin 0 -> 658701 bytes analysis/igemRNA/data/Yeast_8_4_0.xls | Bin 0 -> 1658880 bytes analysis/igemRNA/data/Yeast_8_4_0.xml | 132235 +++++++++++++++ analysis/igemRNA/main.m | 199 + 7 files changed, 132981 insertions(+) create mode 100644 analysis/igemRNA/IgemRNA.m create mode 100644 analysis/igemRNA/README.rst create mode 100644 analysis/igemRNA/data/MediumData.xlsx create mode 100644 analysis/igemRNA/data/TranscriptomicsData.xlsx create mode 100644 analysis/igemRNA/data/Yeast_8_4_0.xls create mode 100644 analysis/igemRNA/data/Yeast_8_4_0.xml create mode 100644 analysis/igemRNA/main.m diff --git a/analysis/igemRNA/IgemRNA.m b/analysis/igemRNA/IgemRNA.m new file mode 100644 index 00000000..9ecbb674 --- /dev/null +++ b/analysis/igemRNA/IgemRNA.m @@ -0,0 +1,309 @@ +global trGroup +global transcriptomicsDataSamples +global modelGroup +global mediumGroup + +global thGroup +global thValueSelectionGroup +global upperThLabel +global upperThreshold + +global gmGroup + +global boundConstrGroup + +global nonOptTasksGroup +global nonOptCompareSource +global nonOptCompareTarget +global nonOptLabel1 +global nonOptLabel2 + +global postOptTasksGroup +global initCobraWithUpdates +global initCobraNoUpdates + +addpath('Scripts'); + +openDlg(); + +function openDlg() + d = dialog('Position',[550 50 610 650],'Name','IgemRNA'); + + % Transcriptomics Data Input + global trGroup + trGroup = uibuttongroup('parent', d, 'Title', 'Load Transcriptomics Data','TitlePosition','lefttop','Position',[.01 .88 0.98 0.1]); + e = uicontrol('parent',trGroup, 'Style', 'edit', 'HorizontalAlignment', 'left', 'enable', 'off', 'pos', [10, 10, 470, 20]); + trDataPath = uicontrol('parent', trGroup, 'Style', 'pushbutton', 'String', 'Open', 'pos',[500, 10, 75, 20], 'Callback', {@Data_Selected,e}); + + % Model Input + global modelGroup + modelGroup = uibuttongroup('parent', d, 'Title', 'Load Model','TitlePosition','lefttop','Position',[.01 .78 0.98 0.1]); + e2 = uicontrol('parent',modelGroup, 'Style', 'edit', 'HorizontalAlignment', 'left', 'enable', 'off', 'pos', [10, 10, 470, 20]); + modelPath = uicontrol('parent', modelGroup, 'Style', 'pushbutton', 'String', 'Open', 'pos',[500, 10, 75, 20], 'Callback', {@Data_Selected,e2}); + + % Medium Data Input + global mediumGroup + mediumGroup = uibuttongroup('parent', d, 'Title', 'Load Medium Data','TitlePosition','lefttop','Position',[.01 .68 0.98 0.1]); + e3 = uicontrol('parent',mediumGroup, 'Style', 'edit', 'HorizontalAlignment', 'left', 'enable', 'off', 'pos', [10, 10, 470, 20]); + mediumDataPath = uicontrol('parent', mediumGroup, 'Style', 'pushbutton', 'String', 'Open', 'pos',[500, 10, 75, 20], 'Callback', {@Data_Selected,e3}); + + global thValueSelectionGroup + thValueSelectionGroup = uibuttongroup('parent',d,'Title','Global Threshold Value Selection','TitlePosition','lefttop','visible','off','Position',[.52 .48 0.47 0.2]); + lowerThLabel = uicontrol('Style', 'text', 'parent', thValueSelectionGroup, 'String', 'Lower Threshold: ', 'HorizontalAlignment', 'left', 'pos', [5 70 100 20]); + lowerThreshold = uicontrol('parent', thValueSelectionGroup, 'Style', 'edit', 'String', '0', 'HorizontalAlignment', 'left', 'pos', [120, 72, 100, 20], 'callback',@Numeric_Validate); + global upperThLabel + global upperThreshold + upperThLabel = uicontrol('visible', 'off', 'Style', 'text', 'parent', thValueSelectionGroup, 'String', 'Upper Threshold: ', 'HorizontalAlignment', 'left', 'pos', [5 40 100 20]); + upperThreshold = uicontrol('visible', 'off', 'parent', thValueSelectionGroup, 'Style', 'edit', 'HorizontalAlignment', 'left', 'pos', [120, 42, 100, 20], 'callback',@Numeric_Validate); + isExactVal = uicontrol('Style', 'Radio', 'String', 'Exact Value','pos', [5 15 100 15], 'parent',thValueSelectionGroup); + isPercentile = uicontrol('Style', 'Radio', 'String', 'Percentile','pos', [110 15 100 15], 'parent',thValueSelectionGroup); + thValueSelectionGroup.Visible = 'on'; + + % Thresholding Approach Radio Buttons + global thGroup + thGroup = uibuttongroup('parent',d,'Title','Thresholding Approach','TitlePosition','lefttop','visible','off','Position',[.01 .48 0.5 0.2]); + t1 = uicontrol('Style','Radio','String','Global T1 (one global)','pos',[10 70 400 15],'parent',thGroup, 'callback',{@Threshold_Approach_changed}); + t2 = uicontrol('Style','Radio','String','Local T1 (one global + local)','pos',[10 50 400 15],'parent',thGroup, 'callback',{@Threshold_Approach_changed}); + t3 = uicontrol('Style','Radio','String','Local T2 (two global + local)','pos',[10 30 400 15],'parent',thGroup, 'callback',{@Threshold_Approach_changed}); + thGroup.Visible = 'on'; + + % Gene Mapping Approach Radio Buttons + global gmGroup + gmGroup = uibuttongroup('parent',d,'Title','Gene Mapping Approach (AND/OR)','TitlePosition','lefttop','visible','off','Position',[.01 .38 0.3 0.1]); + gmMinMax = uicontrol('Style','Radio','String','Min/Max','pos',[10 30 70 15],'parent',gmGroup); + gmMinSum = uicontrol('Style','Radio','String','Min/Sum','pos',[10 10 70 15],'parent',gmGroup); + gmGmMax = uicontrol('Style','Radio','String','GM/Max','pos',[90 30 70 15],'parent',gmGroup); + gmGmSum = uicontrol('Style','Radio','String','GM/Sum','pos',[90 10 70 15],'parent',gmGroup); + gmGroup.Visible = 'off'; + + % Bound Constraining Options + global boundConstrGroup + boundConstrGroup = uibuttongroup('parent',d,'Title','Constraining Options','TitlePosition','lefttop','visible','off','Position',[.32 .38 0.67 0.1]); + constrIrreversible = uicontrol('Style','Radio','String','Only irreversible reactions','pos',[10 30 310 15],'parent',boundConstrGroup); + consrtAll = uicontrol('Style', 'Radio', 'String', 'All reactions','pos', [10 10 310 15], 'parent',boundConstrGroup); + % Preserve growth requirements options + growthNotAffectingGeneDel = uicontrol('parent',boundConstrGroup,'Style','checkbox','String','Growth not affecting gene deletion only', 'pos',[180 30 400 15],'Enable','off'); + meetMinimumGrowthReq = uicontrol('parent',boundConstrGroup,'Style','checkbox','String','Meet minimum growth requirements', 'pos',[180 10 400 15],'Enable','off'); + boundConstrGroup.Visible = 'off'; + + global nonOptTasksGroup + global nonOptCompareSource + global nonOptCompareTarget + global nonOptLabel1 + global nonOptLabel2 + nonOptTasksGroup = uibuttongroup('parent',d,'Title','Non-optimization Tasks','TitlePosition','lefttop','visible','off','Position',[.01 .08 0.5 0.3]); + nonOptT1 = uicontrol('parent',nonOptTasksGroup,'Style','checkbox','String','Filter highly and lowly expressed genes', 'pos',[10 150 400 15]); + nonOptT2 = uicontrol('parent',nonOptTasksGroup,'Style','checkbox','String','Filter lowly expressed genes', 'pos',[10 130 400 15]); + nonOptT3 = uicontrol('parent',nonOptTasksGroup,'Style','checkbox','String','Filter up-/down-regulated genes between phenotypes', 'pos',[10 110 400 15],'callback',{@NonOptComparePhenotypes_changed}); + nonOptLabel1 = uicontrol('visible','off','Style', 'text', 'parent', nonOptTasksGroup, 'String', 'Compare', 'HorizontalAlignment', 'left', 'pos', [10 80 45 15]); + nonOptCompareSource = uicontrol('visible','off','Style','popupmenu','parent',nonOptTasksGroup, 'String',{},'HorizontalAlignment', 'left', 'pos',[60 82 80 15]); + nonOptLabel2 = uicontrol('visible','off','Style', 'text', 'parent', nonOptTasksGroup, 'String', 'with', 'HorizontalAlignment', 'left', 'pos', [145 80 45 15]); + nonOptCompareTarget = uicontrol('visible','off','Style','popupmenu','parent',nonOptTasksGroup, 'String',{},'HorizontalAlignment', 'left', 'pos',[170 82 80 15]); + + global postOptTasksGroup + global postOptLabel1 + global postOptCompareSource + global postOptLabel2 + global postOptCompareTarget + global initCobraWithUpdates + global initCobraNoUpdates + postOptTasksGroup = uibuttongroup('parent',d,'Title','Post-optimization Tasks','TitlePosition','lefttop','visible','off','Position',[.52 .08 0.47 0.3]); + useExistingModels = uicontrol('parent',postOptTasksGroup,'Style','checkbox','String','Use existing context-specific models','fontweight', 'bold', 'pos',[10 165 400 15]); + postOptT1 = uicontrol('parent',postOptTasksGroup,'Style','checkbox','String','Filter non-flux reactions', 'pos',[10 148 400 15]); + postOptT2 = uicontrol('parent',postOptTasksGroup,'Style','checkbox','String','Filter rate limitting reactions', 'pos',[10 131 400 15],'callback',{@PostOpt_changed}); + postOptT3 = uicontrol('parent',postOptTasksGroup,'Style','checkbox','String','Calculate flux shifts between phenotypes', 'pos',[10 114 400 15],'callback',{@PostOpt_changed}); + postOptLabel1 = uicontrol('visible','off','Style', 'text', 'parent', postOptTasksGroup, 'String', 'Compare', 'HorizontalAlignment', 'left', 'pos', [10 90 45 15]); + postOptCompareSource = uicontrol('visible','off','Style','popupmenu','parent',postOptTasksGroup, 'String',{},'HorizontalAlignment', 'left', 'pos',[60 92 80 15]); + postOptLabel2 = uicontrol('visible','off','Style', 'text', 'parent', postOptTasksGroup, 'String', 'with', 'HorizontalAlignment', 'left', 'pos', [145 90 45 15]); + postOptCompareTarget = uicontrol('visible','off','Style','popupmenu','parent',postOptTasksGroup, 'String',{},'HorizontalAlignment', 'left', 'pos',[170 92 80 15]); + + % Objective select + objectiveFuctionLabel = uicontrol('Style', 'text', 'parent', postOptTasksGroup, 'String', 'Objective function Id: ', 'HorizontalAlignment', 'left', 'pos', [10 60 110 20]); + objectiveFunction = uicontrol('parent', postOptTasksGroup, 'String','r_1761', 'Style', 'edit', 'HorizontalAlignment', 'left', 'pos', [120, 63, 140, 20]); + %Biomass exclusion + excludeBiomass = uicontrol('parent',postOptTasksGroup,'Style','checkbox','String','Exclude biomass', 'pos',[10 40 110 20]); + biomassId = uicontrol('parent', postOptTasksGroup, 'String','r_4041', 'Style', 'edit', 'HorizontalAlignment', 'left', 'pos', [120, 45, 140, 20]); + + initCobraNoUpdates = uicontrol('visible','off','Style','Radio','String','Initialize CobraToolbox Without Updates','pos',[10 20 400 15],'parent',postOptTasksGroup); + initCobraWithUpdates = uicontrol('visible','off','Style', 'Radio', 'String', 'Initialize CobraToolbox With Updates','pos', [10 5 400 15], 'parent',postOptTasksGroup); + + Okbtn = uicontrol('parent', d, 'Style', 'pushbutton', 'String', 'OK', 'pos',[445, 10, 75, 20], 'Callback', {@OK}); + Cancelbtn = uicontrol('parent', d, 'Style', 'pushbutton', 'String', 'Close', 'pos',[520, 10, 75, 20], 'Callback', 'delete(gcf)'); +end + +function Data_Selected(sender, event, textInput) +global postOptTasksGroup +global transcriptomicsDataSamples +global nonOptTasksGroup +global gmGroup +global boundConstrGroup +global initCobraWithUpdates +global initCobraNoUpdates + [FileName, FilePath] = uigetfile({'*.xlsx; *.xls'}); + if ~ischar(FileName) + return; + end + set(textInput, 'String', fullfile(FilePath, FileName)); + disp(textInput.Parent()); + if contains(textInput.Parent().Title,"Model") + postOptTasksGroup.Visible = 'on'; + gmGroup.Visible = 'on'; + boundConstrGroup.Visible = 'on'; + initCobraWithUpdates.Visible = 'on'; + initCobraNoUpdates.Visible = 'on'; + end + if contains(textInput.Parent().Title,"Transcriptomics") + trDataPath = textInput.String; + [theMessage, sheetNames] = xlsfinfo(trDataPath); + transcriptomicsDataSamples = sheetNames; + nonOptTasksGroup.Visible = 'on'; + end +end + +function PostOpt_changed(sender, event) + disp(sender); + global postOptCompareSource + global postOptCompareTarget + global postOptLabel1 + global postOptLabel2 + global transcriptomicsDataSamples + + if contains(sender.String, 'flux shifts') + if sender.Value == 1 + postOptCompareSource.String = transcriptomicsDataSamples; + postOptCompareTarget.String = [transcriptomicsDataSamples 'All']; + postOptCompareSource.Visible = 'on'; + postOptCompareTarget.Visible = 'on'; + postOptLabel1.Visible = 'on'; + postOptLabel2.Visible = 'on'; + else + postOptCompareSource.Visible = 'off'; + postOptCompareTarget.Visible = 'off'; + postOptLabel1.Visible = 'off'; + postOptLabel2.Visible = 'off'; + end + end +end + +function NonOptComparePhenotypes_changed(sender, event) + global nonOptCompareSource + global nonOptCompareTarget + global nonOptLabel1 + global nonOptLabel2 + global transcriptomicsDataSamples + if sender.Value == 1 + nonOptCompareSource.String = transcriptomicsDataSamples; + nonOptCompareTarget.String = [transcriptomicsDataSamples 'All']; + nonOptCompareSource.Visible = 'on'; + nonOptCompareTarget.Visible = 'on'; + nonOptLabel1.Visible = 'on'; + nonOptLabel2.Visible = 'on'; + else + nonOptCompareSource.Visible = 'off'; + nonOptCompareTarget.Visible = 'off'; + nonOptLabel1.Visible = 'off'; + nonOptLabel2.Visible = 'off'; + end +end + +function Threshold_Approach_changed(sender, event) + global upperThLabel + global upperThreshold + if contains(sender.String, "T2") + upperThLabel.Visible = 'on'; + upperThreshold.Visible = 'on'; + else + upperThLabel.Visible = 'off'; + upperThreshold.Visible = 'off'; + end +end + +function Numeric_Validate(src,eventdata) + str=get(src,'String'); + if isempty(str2num(str)) + set(src,'string','0'); + warndlg('Input must be numerical'); + end +end + +function OK(~,~) + data = {}; + global trGroup + global modelGroup + global mediumGroup + + global thGroup + global thValueSelectionGroup + + global gmGroup + global boundConstrGroup + + global nonOptTasksGroup + global postOptTasksGroup + + %Supplied data files + data.trDataPath = trGroup.Children(2).String; + data.modelPath = modelGroup.Children(2).String; + data.mediumDataPath = mediumGroup.Children(2).String; + + %Thresholding approach + data.globalT1 = thGroup.Children(3).Value; + data.localT1 = thGroup.Children(2).Value; + data.localT2 = thGroup.Children(1).Value; + + %Global threshold values + data.lowerGlobal = thValueSelectionGroup.Children(5).String; + data.upperGlobal = thValueSelectionGroup.Children(3).String; + data.exact = thValueSelectionGroup.Children(2).Value; + data.percentile = thValueSelectionGroup.Children(1).Value; + + %Gene mapping approach +% data.gmMAX = gmGroup.Children(2).Value; +% data.gmSUM = gmGroup.Children(1).Value; + data.gmGmSum = gmGroup.Children(1).Value; + data.gmGmMax = gmGroup.Children(2).Value; + data.gmMinSum = gmGroup.Children(3).Value; + data.gmMinMax = gmGroup.Children(4).Value; + + %Bound constraining options + data.constrIrreversible = boundConstrGroup.Children(4).Value; + data.constrAll = boundConstrGroup.Children(3).Value; + data.meetMinimumGrowthReq = boundConstrGroup.Children(1).Value; + data.growthNotAffectingGeneDel = boundConstrGroup.Children(2).Value; + + %Non-optimization tasks + data.filterHighlyLowlyExpressedGenes = nonOptTasksGroup.Children(7).Value; + data.filterLowlyExpressedGenes = nonOptTasksGroup.Children(6).Value; + data.ComparePhenotypeGenes = nonOptTasksGroup.Children(5).Value; + data.nonOptCompareSource = {}; + if length(nonOptTasksGroup.Children(3).String()) > 0 + data.nonOptCompareSource = nonOptTasksGroup.Children(3).String(nonOptTasksGroup.Children(3).Value); + end + data.nonOptCompareTarget = {}; + if length(nonOptTasksGroup.Children(1).String()) + data.nonOptCompareTarget = nonOptTasksGroup.Children(1).String(nonOptTasksGroup.Children(1).Value); + end + + %Post-optimization tasks + data.useExistingModels = postOptTasksGroup.Children(14).Value; + data.filterNonFluxReactions = postOptTasksGroup.Children(13).Value; + data.filterRateLimittingReactions = postOptTasksGroup.Children(12).Value; + data.calculateFluxShifts = postOptTasksGroup.Children(11).Value; + data.fluxShiftsSource = {}; + if length(postOptTasksGroup.Children(9).String()) > 0 + data.fluxShiftsSource = postOptTasksGroup.Children(9).String(postOptTasksGroup.Children(9).Value); + end + data.fluxShiftsTarget = {}; + if length(postOptTasksGroup.Children(7).String()) > 0 + data.fluxShiftsTarget = postOptTasksGroup.Children(7).String(postOptTasksGroup.Children(7).Value); + end + + data.objectiveFunction = postOptTasksGroup.Children(5).String; + data.excludeBiomassEquation = postOptTasksGroup.Children(4).Value; + data.biomassId = postOptTasksGroup.Children(3).String; + + data.initCobraWithUpdates = postOptTasksGroup.Children(1).Value; + data.initCobraNoUpdates = postOptTasksGroup.Children(2).Value; + + main(data); +end \ No newline at end of file diff --git a/analysis/igemRNA/README.rst b/analysis/igemRNA/README.rst new file mode 100644 index 00000000..c76229fe --- /dev/null +++ b/analysis/igemRNA/README.rst @@ -0,0 +1,238 @@ +IgemRNA +--------- +*IgemRNA* is transcriptome analysis `MATLAB `_ software with a graphical user interface (GUI) designed for the analysis of transcriptome data directly or the analysis of context-specific models generated from the provided model reconstruction, transciptome and optional medium composition data files. *IgemRNA* facilitates some of the `Cobra Toolbox 3.0 `_ constraint-based modelling functionalities for context-specific model generation and performing optimisation methods like `FBA `_ +or `FVA `_ on them. +Furthermore, *IgemRNA* can be used to validate transcriptomics data taking into account the interconnectivity +of biochemical networks, steady state assumptions and Gene-Protein-Reaction (GPR) relationship. The result context-specific models can then be further analysed and compared to other phenotypes. The main advantage of *IgemRNA* software is that no previos programming skills are required due to the integrated user-friendly GUI which allows to select data files and data processing options in the *IgemRNA* form (see fig. 1). + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/IgemRNAForm.png + :width: 550 +**fig. 1** - Full IgemRNA form + +Folder structure description +********** +The *IgemRNA* tool initially consists of 2 root folders (`Data `_, `Scripts `_), additional result folders are created when specific analysis tasks have been performed (*Results non-optimization, Results post-optimization*) +and an `IgemRNA.m `_ file which calls the user graphical interface form. +*Data* folder stores all input data files used for this tutorial and *Scripts* folder consists of all the script files that are being executed by the *IgemRNA* software according user-selected options in the *IgemRNA* form as well as the test cases provided in this demonstration. +The *Results non-optimization* (results of direct transcriptome analysis) and *Results post-optimization* (results of context-specific model analysis) are folders where all the result files are saved. + + +Running IgemRNA software +********** +In order to run *IgemRNA* the user must first have the `MATLAB `_ environment installed and started as well as have the `IgemRNA `_ software downloaded and the files extracted. Then the user can navigate to the root folder of *IgemRNA* in *MATLAB* where the `IgemRNA.m `_ file is located and run it. + + +Input data files +********** +To access all options in the *IgemRNA* form, the user must supply input data files. This can be done by pressing the *Open* button in the corresponding file upload row and selecting the files via *File Explorer*. **Transcriptomics data file** (see fig. 2B) is required to run *non-optimization tasks* but an additional **model reconstruction file** is required to access the *post-optimization tasks*. **Medium composition data file** (see fig. 2A) is optional, the selection of this data file does not extend the form, but specifies the provided exchange reaction constraints (upper and lower bounds) in the model for *post-optimization tasks* analysis. + +Transcriptomics data and medium composition data can be provided in *.xls* or *.xlsx* formats, where columns are named respectively (see fig. 2) and sheet names correspond to dataset and phenotype names (*dataSetName_phenotypeName*). The model reconstruction file can be provided in *.xls*, *.xml* or other formats supported by *Cobra Toolbox 3.0.* **In case the transcriptomics data consists of multiple datasets, the genes listed in each dataset must be in the same order!** + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/inputDataFormat.png + :width: 500 +**fig. 2** - Input data file structure; A - Medium data file structure; B - Transcriptomics data file structure + +Data files used for this tutorial can be found in the `Data `_ folder: + +* `MediumData.xlsx `_ (medium composition data) +* `Yeast_8_4_0.xls `_ (the yeast consensus genome-scale model reconstruction) +* `TranscriptomicsData.xlsx `_ (RNA-seq measurements), source `here `_. + +Non-optimization tasks +********** + +Non-optimization tasks include several transcriptomics data analysis tasks: + +* filter highly and lowly expressed genes, +* filter lowly expressed genes, +* filter up/down regulated genes between different phenotypes or data sets. + +The results of each task are stored in a different folder within the *Results non-optimization* folder: *Gene expression level comparison*, *Highly-lowly expressed genes*, *Lowly expressed genes* (see fig. 3). + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/nonOptTasksFolderStructure.png + :width: 400 +**fig. 3** - *Non-optimization results* folder + +********** +1. Filter highly and lowly expressed genes +********** +Non-optimization task *Filter highly and lowly expressed genes* generates result *Excel* files for each provided transcriptomics dataset. File names are assigned based on the provided dataset and phenotype names (from transcriptomics data), the applied thresholding approach (*GT1, LT1, LT2*, more on thresholding: `ThresholdingGeneMappingOptions.docx `_) and provided global thresholds values (see fig. 4). Each result *Excel* file contains one sheet with the list of genes provided by transcriptomics data and 4 columns: *GeneId*, *Data* (expression value), *ExpressionLevel* and *ThApplied*. The *ExpressionLevel* column contains the expression levels determined based on the selected thresholding approach, provided global and for thresholding approaches *LT1* and *LT2* calculated local thresholds. Column *ThApplied* displays whether a local or a global threshold for a specific gene was applied (see fig. 5). + +.. |pic1| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterHighlyLowlyExpressedGenesFolder.PNG + :width: 440 + +.. |pic2| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterHighlyLowlyExpressedGenesFile.PNG + :width: 250 + +.. list-table:: + :widths: 200 200 + + * - |pic1| + - |pic2| + + * - **fig. 4** - *Filter highly and lowly expressed genes* folder + - **fig. 5** - *Filter highly and lowly expressed genes* result file + +There are two ways to perform this test case: + +**1. Using GUI** - upload transciptomics data file, select a thresholding approach, input threshold value/s, select non-optimization tasks option *Filter highly and lowly expressed genes* and press *OK*. + +**2. Run test case files** from the *Scripts* folder of *IgemRNA* tool: + +* `TestCase_findHighlyLowlyExpressedGenesGT1.m `_; +* `TestCase_findHighlyLowlyExpressedGenesLT1.m `_; +* `TestCase_findHighlyLowlyExpressedGenesLT2.m `_. + +********** +2. Filter lowly expressed genes +********** +Non-optimization task *Filter lowly expressed genes* generates separate *Excel* result files for each dataset provided in transcriptomics data file. These result files contain filtered gene lists including genes with expression value below the given threshold value/s based on the selected thresholding approach. File names include dataset and phenotype names (from transcriptomics data file), the applied thresholding approach (*GT1, LT1, LT2*, more on thresholding: `ThresholdingGeneMappingOptions.docx `_) and provided global threshold value/s (see fig. 6). Each result file consists of 4 columns *GeneId*, *Data* (expression value), *ExpressionLevel* (in this case, only *Low*) and *ThApplied* to show whether a global or a local threshold was applied for a specific gene. Only those genes with expression values below the given threshold (depending on which thresholding approach is applied) are listed in the result files (see fig. 7). + +.. |pic3| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterLowlyExpressedGenesFolder.png + :width: 400 + +.. |pic4| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterLowlyExpressedGenesFile.PNG + :width: 300 + + +.. list-table:: + :widths: 200 200 + + * - |pic3| + - |pic4| + + * - **fig. 6** - *Filter lowly expressed genes* folder + - **fig. 7** - *Filter lowly expressed genes* result file + + +There are two ways to perform this test case: + +**1. Using GUI** - upload transciptomics data file, select a thresholding approach, input threshold value/s, select non-optimization tasks option *Filter lowly expressed genes* and press *OK*. + +**2. Run test case files** from the *Scripts* folder of *IgemRNA* tool: + +* `TestCase_findGenesBelowThresholdGT1.m `_; +* `TestCase_findGenesBelowThresholdLocal1.m `_; +* `TestCase_findGenesBelowThresholdLocal2.m `_. + +********** +3. Filter up/down regulated genes between phenotypes +********** +Non-optimization task *Filter up/down regulated genes between phenotypes* generates result *Excel* files in the *Gene expression level comparison* folder. Result file name contains dataset and phenotype names for both transcriptomics datasets that have been compared (see fig. 8). Result *Excel* data files contain a full gene list from the target dataset, expression values for both target and source datasets as well as the determined *up/down* regulation status (see fig. 9). + +.. |pic5| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterUpDownRegulatedGenesBetweenPhenotypesFolder.png + :width: 440 + +.. |pic6| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterUpDownRegulatedGenesBetweenPhenotypesFile.png + :width: 500 + + +.. list-table:: + :widths: 200 200 + + * - |pic5| + - |pic6| + + * - **fig. 8** - *Filter up/down regulated genes between phenotypes* folder + - **fig. 9** - *Filter up/down regulated genes between phenotypes* result file + +There are two ways to perform this test case: + +**1. Using GUI** - upload transciptomics data file with multiple datasets, select a thresholding approach, input threshold value/s, select non-optimization tasks option *Filter up/down regulated genes between phenotypes*, choose phenotypes to compare, and press *OK*. + +**2. Run test case file** from the *Scripts* folder of *IgemRNA* tool: `TestCase_findUpDownRegulatedGenes.m `_. + +Post-optimization tasks +********** +Context-specific models generated by *IgemRNA* post-optimization tasks as well as the results of the analysis performed on these models are saved in the *Results post-optimization* folder (see fig. 10). The results of post-optimization tasks are saved in folders with corresponding names: *Flux-shifts*, *Non-flux reactions* and *Rate limiting reactions*. + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/postOptTasksFolder.PNG + :width: 400 + +**fig. 10** - *Post-optimization results* folder + +There are two ways to generate models used in this tutorial: + +**1. Using GUI** - upload transciptomics data file, model reconstrucion file and optionally a medium composition file, select a thresholding approach, input threshold value/s, select gene mapping approach and constraining options, choose one or more *post-optimization tasks* options and press *OK*. + +**2. Run test case file** from the *Scripts* folder of *IgemRNA* tool: `TestCase_createContextSpecificModel.m `_ + + Since model generation and optimisation takes some time, especially for multiple transcriptomics datasets, context-specific model files used for this demonstration have already been provided in the `Results post-optimization/Context-specific models `_ folder. + +********** +1. Filter non-flux reactions +********** +Post-optimization task *Filter non-flux reactions* performs an analysis on created context-specific models of the same phenotype, the name of the phenotype is included in the result file name (see fig. 11). Each result *Excel* file contains a list of reactions that carry no flux in the result context-specific model (lower and upper bound equals 0). An additional sheet for all the common non-flux reactions of the same phenotype is also provided in the sheet *Common_(phenotypeName)* (see fig. 12). + +.. |pic7| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/nonFluxReactionsResultFolder.png + :width: 450 + +.. |pic8| image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/nonFluxReactionTaskResultFile.png + :width: 800 + + +.. list-table:: + :widths: 455 805 + + * - |pic7| + - |pic8| + + * - **fig. 11** - *Filter non-flux reactions* folder + - **fig. 12** - *Filter non-flux reactions* result file + +There are two ways to perform this test case: + +**1. Using GUI** - upload transciptomics data file, model reconstrucion file and optionally a medium composition file, select a thresholding approach, input threshold value/s, select gene mapping approach and constraining options and choose post-optimization task *Filter non-flux reactions* options. If context-specific models have already been generated, choose the *Use existing context-specific models* option. Press *OK*. More on thresholding and gene mapping: `ThresholdingGeneMappingOptions.docx `_. + +**2. Run test case file** from the *Scripts* folder of *IgemRNA* tool: `TestCase_filterNonFluxReactions.m `_ + +********** +2. Filter rate limiting reactions +********** +Post-optimization task *Filter rate limiting reactions* performs analysis on the generated context-specific models of the same phenotype, the phenotype name is included in the result files (see fig. 13). + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterRateLimitingReactionsResultFolder.png + :width: 400 + +**fig. 13** - *Filter rate limiting reactions* folder + +An analysis of these context-specific models have been performed in order to filter reactions that have reached the maximal flux value (*MaxFlux* calculated by `FVA `_) based on the upper bound constraint set according to transcriptomics data and GPR associations. An additional sheet *Common_(phenotypeName)* for common rate limiting reactions has also been added to the result file where rate limiting reactions that are present in all context-specific models of the same phenotype (see fig. 14). + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/filterRateLimitingReactionsResultFile.png + :width: 1000 + +**fig. 14** - *Filter rate limiting reactions* result file + +There are two ways to perform this test case: + +**1. Using GUI** - upload transciptomics data file, model reconstrucion file and optionally a medium composition file, select a thresholding approach, input threshold value/s, select gene mapping approach and constraining options and choose post-optimization task *Filter rate limiting reactions* options. If context-specific models have already been generated, choose the *Use existing context-specific models* option. Press *OK*. More on thresholding and gene mapping: `ThresholdingGeneMappingOptions.docx `_. + +**2. Run test case file** from the *Scripts* folder of *IgemRNA* tool: `TestCase_filterRateLimittingReactions.m `_. + +********** +3. Flux shifts calculation between different phenotypesz +********** +Post-optimization task *Calculate flux shifts between phenotypes* compares flux values (calculated by `FVA `_ on the context-specific models) between two different phenotypes. In this demonstration flux shifts analysis task was performed on the *S47D* phenotype datasets using *GT1* thresholding approach with the lower global threshold value of 0, *phenotype SRR8994358_WT* was compared to the wild type dataset *SRR8994357_WT* of the same thresholding approach and threshold values (see fig. 15). + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/calculateFluxShiftsResultFolder.png + :width: 400 + +**fig. 15** - *Calculate flux shifts between phenotypes* folder + +Each result file contains a full reaction list that corresponds to the *Reaction List* sheet in the provided model reconstruction file as well as additional columns for the calculation results: *MinFlux* and *MaxFlux* values (phenotype that is compared, fig. 16 L, M columns), *MinFlux/MaxFlux(dataset name)_(phenotype name)* phenotype that is used for comparison (fig. 16 N, O columns) and the *MinFlux/MaxFluxRatio* between these two phenotypes (fig. 16. P, Q columns). + +.. image:: https://github.com/BigDataInSilicoBiologyGroup/IgemRNA/blob/main/img/calculateFluxShiftsResultFile.png + :width: 1000 + +**fig. 16** - *Calculate flux shifts between phenotypes* result file + +There are two ways to perform this test case: + +**1. Using GUI** - upload transciptomics data file, model reconstrucion file and optionally a medium composition file, select a thresholding approach, input threshold value/s, select gene mapping approach and constraining options and choose post-optimization task *Calculate flux shifts between phenotypes* options. If context-specific models have already been generated, choose the *Use existing context-specific models* option. Press *OK*. More on thresholding and gene mapping: `ThresholdingGeneMappingOptions.docx `_. + +**2. 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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: added after the Biolog update (PR #149); (S)-malate exchange

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NOTES: added after the Biolog update (PR #149); trehalose exchange

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NOTES: added after the Biolog update (PR #149); alpha-D-glucosamine 6-phosphate exchange

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NOTES: added after the Biolog update (PR #149); cytosine exchange

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NOTES: added after the Biolog update (PR #149); D-arabinose exchange

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NOTES: added after the Biolog update (PR #149); D-galactose exchange

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NOTES: added after the Biolog update (PR #149); D-glucitol exchange

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NOTES: added after the Biolog update (PR #149); D-mannose exchange

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NOTES: added after the Biolog update (PR #149); D-ribose exchange

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NOTES: added after the Biolog update (PR #149); D-xylose exchange

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NOTES: added after the Biolog update (PR #149); L-glycine exchange | MetaNetX ID curated (PR #220)

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NOTES: added after the Biolog update (PR #149); guanine exchange

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NOTES: added after the Biolog update (PR #149); guanosine exchange

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NOTES: added after the Biolog update (PR #149); L-alanine exchange

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NOTES: added after the Biolog update (PR #149); L-arabinitol exchange

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NOTES: added after the Biolog update (PR #149); L-arabinose exchange

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NOTES: added after the Biolog update (PR #149); L-arginine exchange

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NOTES: MetaNetX ID curated (PR #220)

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: added after the Biolog update (PR #149); raffinose exchange

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
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NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

+ +
+ + + + + + + + +
+ + + +

NOTES: pseudo-reaction part of the SLIMEr formalism (PR #112); units in mg/gDWh

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+ + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | model.S(606,3523) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | alternative MetaNetX ID MNXR139547 (PR #220) | model.S(601,3553) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142) | model.S(601,3569) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | model.S(601,3584) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | KEGG ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | model.S(602,3615) curated (PR #222)

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NOTES: added after new annotation (PR #142) | model.S(606,3616) curated (PR #222)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220)

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NOTES: added after new annotation (PR #142) | model.S(602,3618) curated (PR #222)

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NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220) | KEGG ID curated (PR #220)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | model.S(608,3642) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | model.S(601,3658) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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NOTES: added after new annotation (PR #142) | model.S(601,3660) curated (PR #222)

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NOTES: added after new annotation (PR #142)

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+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(942,3664) curated (PR #222) | model.S(947,3664) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(942,3665) curated (PR #222) | model.S(947,3665) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(601,3666) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(601,3667) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(601,3668) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(602,3674) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(602,3681) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | model.S(602,3682) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220) | model.S(606,3687) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142) | MetaNetX ID curated (PR #220) | model.S(602,3689) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + +
+ + + +

NOTES: added after new annotation (PR #142)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:EX_glyc2p_e;glycerol 2-phosphate(2-)_P Source | MetaNetX ID curated (PR #220)

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:13105;glycerol 2-phosphate(2-)_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn11407;O-phospho-L-threonine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:30579;O-phospho-L-threonine_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); metacyc:RXN-14512;guanosine 2'-monophosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); guanosine 2'-monophosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:27862;3'-GMP_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3'-GMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05473;2-phosphoglycolate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:14369;2-phosphoglycolate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37251;cysteamine S-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); cysteamine S-phosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:14409;cysteamine S-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:17385;cysteamine S-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:RE2034C;2-aminobutanoate_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2-aminobutanoate_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37355;uridine 2'-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn11403;uridine 2'-phosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:27890;3'-UMP_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05480;3'-UMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12552;Gly-Met_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37323;Gly-Met_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05129;N-phosphocreatine_P Source

+ +
+ + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N-phosphocreatine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N-phosphocreatine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:22940;N(omega)-phospho-L-arginine_P Source

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05502;N(omega)-phospho-L-arginine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:30863;O(4)-phospho-L-tyrosine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05717;triphosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37351;cytidine 2'-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05724;cytidine 2'-phosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37239;2',3'-cyclic UMP_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn11402;2',3'-cyclic UMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:28278;3-sulfino-L-alanine_S Source | model.S(601,3735) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12567;3-sulfino-L-alanine_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:27898;3'-AMP_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn07973;3'-AMP_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); sabiork:11700;6-O-alpha-D-glucopyranosyl-D-fructofuranose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05629;6-O-alpha-D-glucopyranosyl-D-fructofuranose_C Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:RE2223M;N-acetyl-L-cysteine_S Source

+ +
+ + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12528;N-acetyl-L-cysteine_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); R00029;tetrathionate_S Source | MetaNetX ID curated (PR #220) | KEGG ID curated (PR #220) | model.S(2597,3743) curated (PR #222) | model.S(2598,3743) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:TETtex;tetrathionate_S Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:23936;5-dehydro-D-gluconate_C Source

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:28819;5-dehydro-D-gluconate_C Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37267;Ala-Asp_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12628;Ala-Asp_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:41956;cytidine 2'-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn11401;2',3'-cyclic CMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn09978;methyl alpha-D-glucopyranoside_C Source | MetaNetX ID curated (PR #220)

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:34871;methyl alpha-D-glucopyranoside_C Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12524;methyl alpha-D-glucopyranoside_C Source | MetaNetX ID curated (PR #220)

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn02094;D-tagatose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-tagatose_C Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:TAGAT_Dt;D-tagatose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:16117;acetoacetate_C Source

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:RE2640C;N(alpha)-acetyl-L-methionine_S Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12568;Ala-Gln_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:35131;Ala-Glu_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05746;alpha-maltotriose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Thr_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Thr_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:14157;triphosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Asn_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); glycerol 1-phosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05639;O-phosphonatooxy-D-serine(2-)_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:24873;O-phosphonatooxy-D-serine(2-)_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:35131;Ala-Glu_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:29335;Ala-Glu_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:22032;3-oxalomalate(3-)_C Source

+ +
+ + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:13441;L-cysteate_S Source | model.S(601,3772) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37211;guanosine 2'-monophosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37247;thymidine 3'-monophosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37275;Ala-Gln_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37283;Ala-His_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37299;Ala-Thr_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37307;Gly-Asn_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37315;Gly-Gln_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12602;L-cysteate_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); sabiork:11699;turanose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12535;2-hydroxyethane-1-sulfonate_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12545;3-oxalomalate(3-)_C Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12552;Gly-Met_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12555;Gly-Gln_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12555;Gly-Gln_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12568;Ala-Gln_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12570;N(alpha)-acetyl-L-methionine_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12580;O(4)-phospho-L-tyrosine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12594;Ala-His_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12594;Ala-His_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12628;Ala-Asp_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:29715;2-hydroxyethane-1-sulfonate_S Source | model.S(601,3793) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); thymidine 3'-monophosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); thymidine 5'-monophosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); glycerol 1-phosphate_P Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); thymidine 5'-monophosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Glu_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Glu_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:36463;Gly-Glu_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); L-methionine_N Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); L-threonine_N Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); cysteamine S-phosphate_P Source

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn07927;2',3'-cyclic GMP_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05474;2-phospho-D-glyceric acid_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05479;3-phosphonato-D-glycerate(3-)_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn08545;D-glucose 1-phosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn09823;carbamoyl phosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Met-Ala_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Met-Ala_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05640;3-phospho-serine_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05471;GMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn08925;myo-inositol hexakisphosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:EX_g6p_e;D-glucose 6-phosphate_P Source | MetaNetX ID curated (PR #220)

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:27926;UMP_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05630;phosphoenolpyruvate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn08880;D-mannose 6-phosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05716;O-phosphoethanolamine_P Source

+ +
+ + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05482;6-phospho-D-gluconate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05609;D-mannose 1-phosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn11395;diphosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:CHOLPtg;choline phosphate_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:32807;thiosulfate_S Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05497;AMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn07925;2',3'-cyclic AMP_P Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05721;CMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05525;CMP_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn08593;D-Glucosamine_C Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2-deoxy-D-ribose_C Source

+ +
+ + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05674;L-citrulline_N Source

+ +
+ + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn05532;glycerone_C Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Leu_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Leu_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12625;Ala-Gly_N Source

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12625;Ala-Gly_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N-acetyl-L-glutamate_N Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N-acetyl-L-glutamate_N Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12577;lipoamide_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn08915;L-Methionine S-oxide_S Source

+ +
+ + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Asn_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); seed:rxn12622;cysteamine S-phosphate_P Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); general sulfur metabolism_S Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:29443;L-alanine_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:28899;L-glycine_N Source

+ +
+ + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:27826;L-methionine_N Source

+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:16189;L-tyrosine_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:15449;L-tyrosine_N Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:14817;L-tyrosine_N Source

+ +
+ + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:10244;L-tyrosine_N Source

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:16381;D-arabinose_C Source | MetaNetX ID curated (PR #220)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:17025;D-arabinose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-arabinose_C Source

+ +
+ + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:17921;D-arabinose_C Source

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:29751;acetoacetate_C Source

+ +
+ + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); bigg:EX_meoh_e;methyl alpha-D-glucopyranoside_C Source | MetaNetX ID curated (PR #220)

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); rhea:37343;adenosine 2'-phosphate_P Source

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Gly exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3-oxalomalate(3-) exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 6-O-alpha-D-glucopyranosyl-D-fructofuranose exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 5-dehydro-D-gluconate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-tagatose exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); turanose exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-glucose 6-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); alpha-maltotriose exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-glucose 1-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); methyl alpha-D-glucopyranoside exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-Glucosamine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); glycerone exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Gln exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Leu exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Gln exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-His exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Asn exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Glu exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Met exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Asp exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Gly-Glu exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Ala-Thr exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); Met-Ala exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); L-citrulline exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2-aminobutanoate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); choline phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); glycerol 1-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2-phospho-D-glyceric acid exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); GMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3-phospho-serine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); O-phosphonatooxy-D-serine(2-) exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); diphosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); triphosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); phosphoenolpyruvate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N(omega)-phospho-L-arginine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); carbamoyl phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); O-phosphoethanolamine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); cysteamine S-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); guanosine 2'-monophosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); glycerol 2-phosphate(2-) exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3'-GMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2-phosphoglycolate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 6-phospho-D-gluconate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-mannose 6-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2',3'-cyclic GMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); O(4)-phospho-L-tyrosine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); O-phospho-L-threonine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3-phosphonato-D-glycerate(3-) exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); adenosine 2'-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3'-AMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2',3'-cyclic AMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-mannose 1-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); AMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N(alpha)-acetyl-L-methionine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); L-Methionine S-oxide exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3-sulfino-L-alanine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N-acetyl-L-cysteine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); L-cysteate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2-hydroxyethane-1-sulfonate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); acetoacetate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); N-acetyl-L-glutamate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); UMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); CMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); thymidine 5'-monophosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); thymidine 3'-monophosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); cytidine 2'-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); uridine 2'-phosphate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 3'-UMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2',3'-cyclic CMP exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); 2',3'-cyclic UMP exchange

+ +
+ + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156) | model.S(610,3928) curated (PR #222)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156) | MetaNetX ID curated (PR #220)

+ +
+ + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156) | model.S(400,3932) curated (PR #222) | model.S(601,3932) curated (PR #222) | model.S(610,3932) curated (PR #222)

+ +
+ + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156) | MetaNetX ID curated (PR #220) | KEGG ID curated (PR #220)

+ +
+ + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156) | model.S(2671,3939) curated (PR #222) | model.S(2670,3939) curated (PR #222) | model.S(601,3939) curated (PR #222)

+ +
+ + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: metabolites observed in metabolomics data (PR #156)

+ +
+ + + + + + + + + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + + + + + + + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR94845

+ +
+ + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR95431

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR95481

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR99646

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR101858

+ +
+ + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR135002

+ +
+ + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR102871

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR106312

+ +
+ + + + + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR105076

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR105076

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR105127

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR104921

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR99110

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR95426

+ +
+ + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR100259

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR105127

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR95809

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR100449

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR96123

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR101385

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR95416

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR100494

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR97002

+ +
+ + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR96123

+ +
+ + + + + + + + + + + + + + + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR104966

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR104460

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR105071

+ +
+ + + + + + +
+ + + +

NOTES: added after Gapfilling (PR #185); MNXR105021

+ +
+ + + + + + +
+ + + +

NOTES:added for BiomassUpdate (PR #174)

+ +
+ + + +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

NOTES: added after the Biolog update (PR #149); acetate exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); adenine exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); ethanol exchange

+ +
+ + + +
+ + + +

NOTES: added after the Biolog update (PR #149); D-fructose exchange

+ +
+ + + +
+ + + +

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GT1 (Global T1, no local rules) + if inputData.globalT1 == 1 % + + % filterLowlyExpressedGenes GT1 + if inputData.filterLowlyExpressedGenes == 1 + lowlyExpressedGenes = findGenesBelowThresholdGT1(lowerGlobalThresholdVal, trData.Geneid, trData.Data); + folderName = strcat('resultsNonOptimization/lowlyExpressedGenes/',d,'/'); + excelFileName = strcat(trSheets{i}, '_GT1_', string(lowerGlobalThresholdVal), '.xls'); + saveResultTable(folderName, excelFileName, lowlyExpressedGenes, nonOptFilterLowlyHeaders1); + end + + % filterHighlyLowlyExpressedGenes GT1 + if inputData.filterHighlyLowlyExpressedGenes == 1 + geneExpressionLevels = findHighlyLowlyExpressedGenesGT1(lowerGlobalThresholdVal, trData.Geneid, trData.Data); + folderName = strcat('resultsNonOptimization/highlyLowlyExpressedGenes/',d,'/'); + excelFileName = strcat(trSheets{i}, '_GT1_', string(lowerGlobalThresholdVal), '.xls'); + saveResultTable(folderName, excelFileName, geneExpressionLevels, nonOptFilterLowlyHeaders1); + end + + elseif inputData.localT1 == 1 % Must apply local rules (multiple tr datasets) + % filterLowlyExpressedGenes LT1 + if inputData.filterLowlyExpressedGenes == 1 + lowlyExpressedGenes = findGenesBelowThresholdLocal1(lowerGlobalThresholdVal, inputData.trDataPath, i); + folderName = strcat('resultsNonOptimization/lowlyExpressedGenes/',d,'/'); + excelFileName = strcat(trSheets{i}, '_LT1_', string(lowerGlobalThresholdVal), '.xls'); + saveResultTable(folderName, excelFileName, lowlyExpressedGenes, nonOptFilterLowlyHeaders2); + end + + % filterHighlyLowlyExpressedGenes LT1 + if inputData.filterHighlyLowlyExpressedGenes == 1 + geneExpressionLevels = findHighlyLowlyExpressedGenesLT1(lowerGlobalThresholdVal, inputData.trDataPath, i); + folderName = strcat('resultsNonOptimization/highlyLowlyExpressedGenes/',d,'/'); + excelFileName = strcat(trSheets{i}, '_LT1_', string(lowerGlobalThresholdVal), '.xls'); + saveResultTable(folderName, excelFileName, geneExpressionLevels, nonOptFilterLowlyHeaders2); + end + + else % inputData.localT2 == 1 + % filterLowlyExpressedGenes LT2 + if inputData.filterLowlyExpressedGenes == 1 + lowlyExpressedGenes = findGenesBelowThresholdLocal2(lowerGlobalThresholdVal, upperGlobalThresholdVal, inputData.trDataPath, i); + folderName = strcat('resultsNonOptimization/lowlyExpressedGenes/',d,'/'); + excelFileName = strcat(trSheets{i}, '_LT2_', string(lowerGlobalThresholdVal), '_', string(upperGlobalThresholdVal), '.xls'); + saveResultTable(folderName, excelFileName, lowlyExpressedGenes, nonOptFilterLowlyHeaders2); + end + + % filterHighlyLowlyExpressedGenes LT2 + if inputData.filterHighlyLowlyExpressedGenes == 1 + geneExpressionLevels = findHighlyLowlyExpressedGenesLT2(lowerGlobalThresholdVal, upperGlobalThresholdVal, inputData.trDataPath, i); + folderName = strcat('resultsNonOptimization/highlyLowlyExpressedGenes/',d,'/'); + excelFileName = strcat(trSheets{i}, '_LT2_', string(lowerGlobalThresholdVal), '_', string(upperGlobalThresholdVal), '.xls'); + saveResultTable(folderName, excelFileName, geneExpressionLevels, nonOptFilterLowlyHeaders2); + end + end + end + end + + % Compare multiple sheets (phenotypes) at a time + if inputData.ComparePhenotypeGenes == 1 + % ComparePhenotypeGenes + if string(inputData.nonOptCompareTarget) == "All" + trSheets = sheetnames(inputData.trDataPath); + for j=1:1:height(trSheets) + if trSheets{j} ~= string(inputData.nonOptCompareSource) + result = findUpDownRegulatedGenes(inputData.nonOptCompareSource, trSheets{j}, inputData.trDataPath); + folderName = strcat('resultsNonOptimization/geneExpressionLevelComparison/',d,'/'); + excelFileName = strcat(inputData.nonOptCompareSource, '_compared_to_', trSheets{j}, '.xls'); + saveResultTable(folderName, excelFileName, result, {'GeneId',strcat(inputData.nonOptCompareSource,'_Data(target)'),strcat(trSheets{j},'_Data(source)'),'Up/Down regulated'}); + end + end + else + result = findUpDownRegulatedGenes(inputData.nonOptCompareSource, inputData.nonOptCompareTarget, inputData.trDataPath); + folderName = strcat('resultsNonOptimization/geneExpressionLevelComparison/',d,'/'); + excelFileName = strcat(inputData.nonOptCompareSource, '_compared_to_', inputData.nonOptCompareTarget, '.xls'); + saveResultTable(folderName, excelFileName, result, {'GeneId',strcat(inputData.nonOptCompareSource,'_Data(target)'),strcat(trSheets{j},'_Data(source)'),'Up/Down regulated'}); + end + end + end + + % Post-opt tasks + if any(postOptTasksBool(:) == 1) + + % Start CobraToolbox + if inputData.initCobraNoUpdates == 1 + initCobraToolbox(false); + else + initCobraToolbox(true); + end + + % Integrate transcriptomics in the model + if inputData.useExistingModels ~= 1 + createContextSpecificModel(inputData.modelPath,inputData.trDataPath,inputData.mediumDataPath,inputData.growthNotAffectingGeneDel, inputData.meetMinimumGrowthReq, thresholdingApproach, lowerGlobalThresholdVal, upperGlobalThresholdVal, inputData.objectiveFunction, gmAndOperation, gmOrOperation, inputData.constrAll, inputData.excludeBiomassEquation, inputData.biomassId, inputData.percentile); + end + + if inputData.filterNonFluxReactions == 1 + dest = strcat('resultsPostOptimization\contextSpecificModels\*.xls'); + S = dir(dest); + count = length(S); + phenotypes = {}; + cnt = 1; + + for i=1:1:count + temp = split(S(i).name,'_'); + phenotype = replace(temp(length(temp)),'.xls',''); + if ~any(strcmp(phenotypes,phenotype)) + phenotypes(cnt) = phenotype; + filterNonFluxReactions(phenotype); + cnt = cnt + 1; + end + end + end + + if inputData.filterRateLimittingReactions == 1 + dest = strcat('resultsPostOptimization\contextSpecificModels\*.xls'); + S = dir(dest); + count = length(S); + phenotypes = {}; + cnt = 1; + + for i=1:1:count + temp = split(S(i).name,'_'); + phenotype = replace(temp(length(temp)),'.xls',''); + if ~any(strcmp(phenotypes,phenotype)) + phenotypes(cnt) = phenotype; + cnt = cnt + 1; + filterRateLimittingReactions(phenotype); + end + end + end + + if inputData.calculateFluxShifts == 1 + calculateFluxShifts(inputData.fluxShiftsSource, inputData.fluxShiftsTarget); + end + + end + f = msgbox('Operation Completed!'); +end \ No newline at end of file From 8a0da6729e7af3a8ac68ee0367275e8e0c22020b Mon Sep 17 00:00:00 2001 From: Ines Thiele Date: Fri, 26 Aug 2022 09:55:02 +0100 Subject: [PATCH 002/129] small changes to metaboAnnotator --- .../tutorial_MetaboAnnotator.mlx | Bin 118401 -> 118471 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git a/dataIntegration/metaboAnnotator/tutorial_MetaboAnnotator.mlx b/dataIntegration/metaboAnnotator/tutorial_MetaboAnnotator.mlx index 58658b1696eb2561db5efae0d3722afd77429ff0..9e09b01192f388a8cd20a0cc5da51f257b790d7e 100644 GIT binary patch delta 9385 zcmZ8{Wl){L(&jn1ySoKQaCdiicX#(dcyV`vdk7NTC2(+ex8Uxs36RbGwrY3p_K%sW zuI`?CW}c~@n(p8{_~AVGx=twQIc1{MZm3(df3sF5yqy>(DF|fxJ+&K}2oQ4c`1P}X z>y5$n%hA_4$XCm8KTc&2{=g4v!~$8mCnt)ud%?1@=Kaf*vg4;&uTLEvAbQnrjtp#h 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zYKd?}J9YYbFjh1pZ_wPuRj$FHLePFdCEqE}ELtamB|kVbv`N#5&67#+yq=}AaF5(x zKw1^~ZX>*jXh7N+8ox1y0mh)3;{@q-8m!W+Lw1W1pXh8W?0;F!dQdKavzVdSx*i;__7 zlHM!Qc=cGG3eAl531xq=oJ^2QCVV4$GgimH{0&Df4pXw!DdA}P7RaV+aY0~rj)9k; z`d-4DBAV9!CV6`xSJR>K;QObuXKexu2LkkPRozd;f2jT1 zo~gM~lH0&k|IF&E5KbZe8Ri_xWgURXswZfVzh)91S PXwT=j=V!+>|Hb|vuDWxI From ad0ac38f62d25f0b1f3f4a4d92e6cb5e4b606b98 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 11:35:34 +0100 Subject: [PATCH 004/129] Create main.yml --- .github/workflows/main.yml | 39 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 39 insertions(+) create mode 100644 .github/workflows/main.yml diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml new file mode 100644 index 00000000..1522908d --- /dev/null +++ b/.github/workflows/main.yml @@ -0,0 +1,39 @@ +name: Convert MLX to HTML and Sync + +on: + push: + branches: [ main ] + paths: + - '**.mlx' + +jobs: + convert-and-sync: + runs-on: self-hosted + steps: + - name: Checkout Source Repo + uses: actions/checkout@v2 + with: + token: ${{ secrets.GITHUB_TOKEN }} + fetch-depth: 0 + + - name: Get All Changed Files + id: files + uses: jitterbit/get-changed-files@v1 + + - name: Find changed mlx files + id: getfile + run: | + files=$(echo "${{ steps.files.outputs.all }}" | grep -E '\.mlx$') + echo "::set-output name=file::$files" + + - name: Setup MATLAB + uses: matlab-actions/setup-matlab@v1 + + - name: Convert .mlx to .html + run: matlab -batch "convertMlxToHtml('${{ steps.getfile.outputs.file }}')" + + - name: Give execute permission to the build script + run: chmod +x build.sh + + - name: Run build.sh script + run: ./build.sh '/' ${{ secrets.PAT }} '${{ steps.getfile.outputs.file }}' From 3a05fee167d9414cbbf4807d3d89b9b7173467a2 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 11:44:17 +0100 Subject: [PATCH 005/129] Update main.yml --- .github/workflows/main.yml | 43 +++++++++++++++++++++++++------------- 1 file changed, 29 insertions(+), 14 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 1522908d..46103c82 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -1,4 +1,4 @@ -name: Convert MLX to HTML and Sync +name: Sync MLX Files on: push: @@ -7,12 +7,13 @@ on: - '**.mlx' jobs: - convert-and-sync: - runs-on: self-hosted + copy-changes: + runs-on: ubuntu-latest steps: - name: Checkout Source Repo uses: actions/checkout@v2 with: + repository: 'openCOBRA/COBRA.tutorials' token: ${{ secrets.GITHUB_TOKEN }} fetch-depth: 0 @@ -20,20 +21,34 @@ jobs: id: files uses: jitterbit/get-changed-files@v1 - - name: Find changed mlx files + - name: Find changed files id: getfile run: | - files=$(echo "${{ steps.files.outputs.all }}" | grep -E '\.mlx$') + files=$(echo "${{ steps.files.outputs.all }}" | grep -E '\.(mlx)$') echo "::set-output name=file::$files" + + + - name: Give execute permission to the script + run: chmod +x build.sh + + - name: Give execute permission to the other script + run: chmod +x setup.sh - - name: Setup MATLAB - uses: matlab-actions/setup-matlab@v1 - - - name: Convert .mlx to .html - run: matlab -batch "convertMlxToHtml('${{ steps.getfile.outputs.file }}')" + + - name: Sync with Destination Repo + run: | + counter=0 + for file in ${{ steps.getfile.outputs.file }}; do + if [ $counter -eq 0 ] + then + # This is the first iteration, handle the file differently + ./setup.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + else + ./build.sh openCOBRA/cobratoolboxy ${{ secrets.DEST_REPO_TOKEN }} $file ${{ secrets.EMAIL }} + fi + counter=$((counter+1)) + done + if: steps.getfile.outputs.file != '' - - name: Give execute permission to the build script - run: chmod +x build.sh - - name: Run build.sh script - run: ./build.sh '/' ${{ secrets.PAT }} '${{ steps.getfile.outputs.file }}' From ba93c509ed8096741b9e0440c2c98f38a1d8335d Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 11:48:20 +0100 Subject: [PATCH 006/129] Update main.yml --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 46103c82..57480404 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -45,7 +45,7 @@ jobs: ./setup.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file else - ./build.sh openCOBRA/cobratoolboxy ${{ secrets.DEST_REPO_TOKEN }} $file ${{ secrets.EMAIL }} + ./build.sh openCOBRA/cobratoolboxy ${{ secrets.DEST_REPO_TOKEN }} fi counter=$((counter+1)) done From ed63cf79b5e31d2f2dfda294e3df165cd870a66e Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 13:00:23 +0100 Subject: [PATCH 007/129] Update main.yml --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 57480404..8ccaa764 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -45,7 +45,7 @@ jobs: ./setup.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file else - ./build.sh openCOBRA/cobratoolboxy ${{ secrets.DEST_REPO_TOKEN }} + ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} fi counter=$((counter+1)) done From 96eefeacb3a31b9793c070c7fe3d74d46c854a85 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 13:22:38 +0100 Subject: [PATCH 008/129] Create build.sh --- build.sh | 38 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 38 insertions(+) create mode 100644 build.sh diff --git a/build.sh b/build.sh new file mode 100644 index 00000000..b8a7b5a2 --- /dev/null +++ b/build.sh @@ -0,0 +1,38 @@ +#!/bin/bash + +DEST_REPO=$1 +DEST_REPO_TOKEN=$2 +FILE_PATH=$3 + +# Convert mlx to html using MATLAB command +# Note: Ensure that MATLAB is installed and added to the PATH +HTML_FILE_PATH=$(echo "$FILE_PATH" | sed 's/.mlx/.html/g') +matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" + +# Clone the destination repository +git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git + +# Split the destination repository into owner and name +IFS='/' read -ra ADDR <<< "$DEST_REPO" +DEST_REPO_OWNER=${ADDR[0]} +DEST_REPO_NAME=${ADDR[1]} + +# Change the current directory to the destination repository +cd $DEST_REPO_NAME + +# Set up git config +git config user.name "GitHub Action" +git config user.email "action@github.com" + +git checkout gh-pages + +# Create the target directory in the destination repository +mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" + +# Copy the file to the target directory in the destination repository +cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" + +# Add, commit and push the files to the destination repository +git add . +git commit -m "Sync files from source repo" || echo "No changes to commit" +git push origin gh-pages From cddfbfb5e92ef2a349686fc2c96c3c1bc038c2b7 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 13:28:13 +0100 Subject: [PATCH 009/129] Add files via upload --- setup.sh | 37 +++++++++++++++++++++++++++++++++++++ 1 file changed, 37 insertions(+) create mode 100644 setup.sh diff --git a/setup.sh b/setup.sh new file mode 100644 index 00000000..0de0910a --- /dev/null +++ b/setup.sh @@ -0,0 +1,37 @@ +#!/bin/bash + +DEST_REPO=$1 +DEST_REPO_TOKEN=$2 +FILE_PATH=$3 + +# Clone the destination repository +git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git + +# Split the destination repository into owner and name +IFS='/' read -ra ADDR <<< "$DEST_REPO" +DEST_REPO_OWNER=${ADDR[0]} +DEST_REPO_NAME=${ADDR[1]} + +# Change the current directory to the destination repository +cd $DEST_REPO_NAME + +# Set up git config +git config user.name "GitHub Action" +git config user.email "action@github.com" + +git checkout gh-pages + +# Extract the directory of the first file +TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" + +# Create the target directory in the destination repository if it doesn't exist +mkdir -p $TARGET_DIR + +# Delete all contents in the target directory +rm -rf $TARGET_DIR/* + + +# Add, commit and push the files to the destination repository +git add . +git commit -m "Sync files from source repo" || echo "No changes to commit" +git push origin gh-pages From f9c72bcfd28fe57e878d585a647304b59cbc6539 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 13:30:34 +0100 Subject: [PATCH 010/129] Update main.yml --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 8ccaa764..839ad643 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -8,7 +8,7 @@ on: jobs: copy-changes: - runs-on: ubuntu-latest + runs-on: self-hosted steps: - name: Checkout Source Repo uses: actions/checkout@v2 From 60a08e35641eb863ec92ec5b5b753219cfd7f123 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 15:16:40 +0100 Subject: [PATCH 011/129] Update main.yml --- .github/workflows/main.yml | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 839ad643..4472705f 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -2,7 +2,7 @@ name: Sync MLX Files on: push: - branches: [ main ] + branches: [ master ] paths: - '**.mlx' @@ -50,5 +50,3 @@ jobs: counter=$((counter+1)) done if: steps.getfile.outputs.file != '' - - From bef5a4e402554bcfd234f32d2000d219ea739d01 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 15:17:04 +0100 Subject: [PATCH 012/129] Delete build.sh --- build.sh | 38 -------------------------------------- 1 file changed, 38 deletions(-) delete mode 100644 build.sh diff --git a/build.sh b/build.sh deleted file mode 100644 index b8a7b5a2..00000000 --- a/build.sh +++ /dev/null @@ -1,38 +0,0 @@ -#!/bin/bash - -DEST_REPO=$1 -DEST_REPO_TOKEN=$2 -FILE_PATH=$3 - -# Convert mlx to html using MATLAB command -# Note: Ensure that MATLAB is installed and added to the PATH -HTML_FILE_PATH=$(echo "$FILE_PATH" | sed 's/.mlx/.html/g') -matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" - -# Clone the destination repository -git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git - -# Split the destination repository into owner and name -IFS='/' read -ra ADDR <<< "$DEST_REPO" -DEST_REPO_OWNER=${ADDR[0]} -DEST_REPO_NAME=${ADDR[1]} - -# Change the current directory to the destination repository -cd $DEST_REPO_NAME - -# Set up git config -git config user.name "GitHub Action" -git config user.email "action@github.com" - -git checkout gh-pages - -# Create the target directory in the destination repository -mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" - -# Copy the file to the target directory in the destination repository -cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" - -# Add, commit and push the files to the destination repository -git add . -git commit -m "Sync files from source repo" || echo "No changes to commit" -git push origin gh-pages From 9e66ae6e57be45bf1195307172e022a0ded42a27 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 15:17:22 +0100 Subject: [PATCH 013/129] Delete setup.sh --- setup.sh | 37 ------------------------------------- 1 file changed, 37 deletions(-) delete mode 100644 setup.sh diff --git a/setup.sh b/setup.sh deleted file mode 100644 index 0de0910a..00000000 --- a/setup.sh +++ /dev/null @@ -1,37 +0,0 @@ -#!/bin/bash - -DEST_REPO=$1 -DEST_REPO_TOKEN=$2 -FILE_PATH=$3 - -# Clone the destination repository -git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git - -# Split the destination repository into owner and name -IFS='/' read -ra ADDR <<< "$DEST_REPO" -DEST_REPO_OWNER=${ADDR[0]} -DEST_REPO_NAME=${ADDR[1]} - -# Change the current directory to the destination repository -cd $DEST_REPO_NAME - -# Set up git config -git config user.name "GitHub Action" -git config user.email "action@github.com" - -git checkout gh-pages - -# Extract the directory of the first file -TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" - -# Create the target directory in the destination repository if it doesn't exist -mkdir -p $TARGET_DIR - -# Delete all contents in the target directory -rm -rf $TARGET_DIR/* - - -# Add, commit and push the files to the destination repository -git add . -git commit -m "Sync files from source repo" || echo "No changes to commit" -git push origin gh-pages From 31ad5687c62bfc4024bd76d781dc01a44f2177be Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Thu, 15 Jun 2023 15:18:47 +0100 Subject: [PATCH 014/129] Add files via upload --- build.sh | 39 +++++++++++++++++++++++++++++++++++++++ setup.sh | 37 +++++++++++++++++++++++++++++++++++++ 2 files changed, 76 insertions(+) create mode 100644 build.sh create mode 100644 setup.sh diff --git a/build.sh b/build.sh new file mode 100644 index 00000000..f317157e --- /dev/null +++ b/build.sh @@ -0,0 +1,39 @@ +#!/bin/bash + +DEST_REPO=$1 +DEST_REPO_TOKEN=$2 +FILE_PATH=$3 + +# Convert mlx to html using MATLAB command +# Note: Ensure that MATLAB is installed and added to the PATH +HTML_FILE_PATH=$(echo "$FILE_PATH" | sed 's/.mlx/.html/g') +export DISPLAY=:99 +Xvfb -ac :99 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" + +# Clone the destination repository +git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git + +# Split the destination repository into owner and name +IFS='/' read -ra ADDR <<< "$DEST_REPO" +DEST_REPO_OWNER=${ADDR[0]} +DEST_REPO_NAME=${ADDR[1]} + +# Change the current directory to the destination repository +cd $DEST_REPO_NAME + +# Set up git config +git config user.name "GitHub Action" +git config user.email "action@github.com" + +git checkout gh-pages + +# Create the target directory in the destination repository +mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" + +# Copy the file to the target directory in the destination repository +cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" + +# Add, commit and push the files to the destination repository +git add . +git commit -m "Sync files from source repo" || echo "No changes to commit" +git push origin gh-pages diff --git a/setup.sh b/setup.sh new file mode 100644 index 00000000..0de0910a --- /dev/null +++ b/setup.sh @@ -0,0 +1,37 @@ +#!/bin/bash + +DEST_REPO=$1 +DEST_REPO_TOKEN=$2 +FILE_PATH=$3 + +# Clone the destination repository +git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git + +# Split the destination repository into owner and name +IFS='/' read -ra ADDR <<< "$DEST_REPO" +DEST_REPO_OWNER=${ADDR[0]} +DEST_REPO_NAME=${ADDR[1]} + +# Change the current directory to the destination repository +cd $DEST_REPO_NAME + +# Set up git config +git config user.name "GitHub Action" +git config user.email "action@github.com" + +git checkout gh-pages + +# Extract the directory of the first file +TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" + +# Create the target directory in the destination repository if it doesn't exist +mkdir -p $TARGET_DIR + +# Delete all contents in the target directory +rm -rf $TARGET_DIR/* + + +# Add, commit and push the files to the destination repository +git add . +git commit -m "Sync files from source repo" || echo "No changes to commit" +git push origin gh-pages From f2a341ae7c7fc072bcbaef2c0b69e9f0446f6502 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Thu, 15 Jun 2023 15:22:35 +0100 Subject: [PATCH 015/129] Create tutorial_minSpan.mlx --- analysis/test/tutorial_minSpan.mlx | Bin 0 -> 161673 bytes 1 file changed, 0 insertions(+), 0 deletions(-) create mode 100644 analysis/test/tutorial_minSpan.mlx diff --git a/analysis/test/tutorial_minSpan.mlx b/analysis/test/tutorial_minSpan.mlx new file mode 100644 index 0000000000000000000000000000000000000000..e1cc65b4648786ac6b2e8ee4f091a2ef06688c51 GIT binary patch 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b/analysis/pFBA/tutorial_pFBA_.mlx similarity index 100% rename from analysis/pFBA/tutorial_pFBA.mlx rename to analysis/pFBA/tutorial_pFBA_.mlx From cbd0299b8b128223ffc6255d598ddda7c66979dd Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 16 Jan 2024 10:32:49 +0000 Subject: [PATCH 022/129] king test 2 --- .../pFBA/{tutorial_pFBA_.mlx => tutorial_pFBA.mlx} | Bin 1 file changed, 0 insertions(+), 0 deletions(-) rename analysis/pFBA/{tutorial_pFBA_.mlx => tutorial_pFBA.mlx} (100%) diff --git a/analysis/pFBA/tutorial_pFBA_.mlx b/analysis/pFBA/tutorial_pFBA.mlx similarity index 100% rename from analysis/pFBA/tutorial_pFBA_.mlx rename to analysis/pFBA/tutorial_pFBA.mlx From bb637aa7bc8c5fdcb0016d92acb76b1748f2a453 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 16 Jan 2024 10:40:37 +0000 Subject: [PATCH 023/129] test3 --- analysis/test/README.md | 7 + analysis/test/tutorial_pFBA.m | 300 ++++++++++++++++++++++++++++++++ analysis/test/tutorial_pFBA.mlx | Bin 0 -> 198154 bytes 3 files changed, 307 insertions(+) create mode 100644 analysis/test/README.md create mode 100644 analysis/test/tutorial_pFBA.m create mode 100644 analysis/test/tutorial_pFBA.mlx diff --git a/analysis/test/README.md b/analysis/test/README.md new file mode 100644 index 00000000..f5d149cc --- /dev/null +++ b/analysis/test/README.md @@ -0,0 +1,7 @@ +

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    diff --git a/analysis/test/tutorial_pFBA.m b/analysis/test/tutorial_pFBA.m new file mode 100644 index 00000000..5e93eb8f --- /dev/null +++ b/analysis/test/tutorial_pFBA.m @@ -0,0 +1,300 @@ +%% A step-by-step guide to parsimoneous enzyme usage Flux Balance Analysis - pFBA +% *Author(s): Francisco José Pardo Palacios, Ines Thiele, LCSB, University of +% Luxembourg.* +% +% *Reviewer(s): Sebastián Mendoza, Center for Mathematical Modeling, University +% of Chile. Catherine Clancy, LCSB, University of Luxembourg.* +% +% *Lin Wang (Costas D. Maranas Lab), Joshua Chan (Costas D. Maranas Lab), +% Chiam Yu Ng (Costas D. Maranas Lab)* +%% INTRODUCTION +% This tutorial shows how the parsimoneous enzyme usage Flux Balance Analysis +% (pFBA), as described in Lewis et al.$$^1$, has been implemented in The COBRA +% Toolbox as the function |pFBA()|. +% +% The main aim of the tutorial is to explain how the calculations are carried +% out in order to understand the pFBA analysis, and to be able to classify, under +% certain conditions, the genes of a model as: essential, pFBA optima, Enzymatically +% Less Efficient (ELE), Metabolically Less Efficient (MLE) or pFBA no-flux genes +% (Figure 1). +% +% # _*Essential genes:_* metabolic genes necessary for growth in the given media. +% # _*pFBA optima: _*non-essential genes contributing to the optimal growth +% rate and minimum gene-associated flux. +% # _*Enzymatically less efficient (ELE): _*genes requiring more flux through +% enzymatic steps than alternative pathways that meet the same predicted growth +% rate. +% # _*Metabolically less efficient (MLE):_* genes requiring a growth rate reduction +% if used. +% # _*pFBA no-flux:_* genes that are unable to carry flux in the experimental +% conditions. +% +% +% +% +% Figure 1: Gene/enzyme classification scheme used by pFBA +% +% This tutorial will use the_ E. coli core _reconstruction$$^2$ as the model +% of choice, and will be called herein as |modelEcore|. The results obtained could +% then be compared to data from evolved E. coli and observe if the |modelEcore| +% can predict its evolution. In order to investigate this, all the steps described +% in the pFBA flowchart (Figure 2) should be followed, and are demonstrated in +% this tutorial. +% +% +% +% +% Figure 2: pFBA flowchart +%% EQUIPMENT SETUP +%% *Initialize the COBRA Toolbox.* +% If necessary, initialize The Cobra Toolbox using the |initCobraToolbox| function. +%% +initCobraToolbox(false) % false, as we don't want to update +%% *Setting the *optimization* solver.* +% This tutorial will be run with a |'glpk'| package, which is a linear programming +% ('|LP'|) solver. The |'glpk'| package does not require additional instalation +% and configuration. + +solverName = 'glpk'; +solverType = 'LP'; +changeCobraSolver(solverName, solverType); +% changeCobraSolver('ibm_cplex'); +% changeCobraSolver('gurobi'); +%% +% However, for the analysis of larger models, such as Recon 2.04$$^3$, it +% is not recommended to use the |'glpk'| package but rather an industrial strength +% solver, such as the |'gurobi' or 'ibm_cplex'| package. +% +% A solver package may offer different types of optimization programmes to +% solve a problem. The above example used a LP optimization, other types of optimization +% programmes include; mixed-integer linear programming ('|MILP|'), quadratic programming +% ('|QP|'), and mixed-integer quadratic programming ('|MIQP|'). +%% *Model setup.* +% Load the modelEcore, and define the uptake of nutrients by the modelEcore. +% The substrate used is glucose, and for this tutorial limit its uptake up to +% 18 mmol/(gDW·h). + +modelFileName = 'ecoli_core_model.mat'; +modelDirectory = getDistributedModelFolder(modelFileName); %Look up the folder for the distributed Models. +modelFileName= [modelDirectory filesep modelFileName]; % Get the full path. Necessary to be sure, that the right model is loaded +model = readCbModel(modelFileName); +model = changeRxnBounds(model, 'EX_glc(e)', -18, 'l'); +%% PROCEDURE +%% Identify essentail reactions: perform a gene knocked-out analysis. +% If the modelEcore is not able to grow when a certain gene is knocked-out, +% the name of that gene will be saved as an essential gene. Even if a very small +% growth is calculated, the model will be considered as not growing and the gene +% will be recorded in an 'essential_genes' vector. Here no growth is defined as +% growth lower than 0.000001. The remaining non-essentail genes will be stored +% in a 'non_EG' vector. +%% +[grRatio, grRateKO, grRateWT, delRxns,... + hasEffect] = singleGeneDeletion(model, 'FBA', model.genes); +essential_genes = []; +non_EG = []; +tol = 1e-6; +for n = 1:length(grRateKO) + if (grRateKO(n)=tol); +pFBAopt_Rxns = unique(regexprep(pFBAopt_Rxns, '_[f|b]$','')); +pFBAopt_Rxns = setdiff(pFBAopt_Rxns, pFBAEssentialRxns) +ELE_Rxns = model.rxns((abs(minFlux3)+abs(maxFlux3))<=tol); +ELE_Rxns = setdiff(ELE_Rxns, RxnMLEname); +ELE_Rxns = setdiff(ELE_Rxns, ZeroFluxRxns) +RxnELE = findRxnIDs(model, ELE_Rxns); +RxnOptima = findRxnIDs(model, pFBAopt_Rxns); +%% Classify the genes: +% The last step is to associate the genes that are related with each reaction. +% The main point of this is to classify the genes into the 5 different groups +% (Figure 3) and store them into different vectors: +% +% # _*Essential genes:_* metabolic genes necessary for growth in the given media +% ('essential_genes'). +% # _*pFBA optima: _*non-essential genes contributing to the optimal growth +% rate and minimum gene-associated flux ('OptimaGenes'). +% # _*Enzymatically less efficient (ELE): _*genes requiring more flux through +% enzymatic steps than alternative pathways that meet the same predicted growth +% rate ('ELEGenes'). +% # _*Metabolically less efficient (MLE):_* genes requiring a growth rate reduction +% if used ('MLEGenes'). +% # _*pFBA no-flux:_* genes that are unable to carry flux in the experimental +% conditions ('pFBAnoFluxGenes'). +% +% +% +% +% Figure 3: Gene classes retrieved through pFBA. +% +% Some genes may not fit in any of this 5 categories. These genes will be +% saved in a vetor called 'remainingGenes'. +%% +OptimaGenes = []; +restGenes = pFBAfluxGenes; +for i = 1:length(RxnOptima) + listGenes = find(RxnGMat(RxnOptima(i), :)); + for n = 1:length(listGenes) + pos = find(pFBAfluxGenes==listGenes(n)); + if pos + OptimaGenes = [OptimaGenes; model.genes(pFBAfluxGenes(pos))]; + restGenes(pos,1) = 0; + end + end +end +OptimaGenes = unique(OptimaGenes); +restGenes(restGenes==0) = []; + +ELEGenes = []; +restGenes2 = restGenes; +for i = 1:length(RxnELE) + listGenes = find(RxnGMat(RxnELE(i), :)); + for n = 1:length(listGenes) + pos = find(restGenes==listGenes(n)); + if pos + ELEGenes = [ELEGenes; model.genes(restGenes(pos))]; + restGenes2(pos, 1) = 0; + end + end +end +ELEGenes = unique(ELEGenes); +restGenes2(restGenes2==0) = []; + +MLEGenes = []; +finalRemainingGenes = restGenes2; +for i = 1:length(RxnMLE) + listGenes = find(RxnGMat(RxnMLE(i),:)); + for n = 1:length(listGenes) + pos = find(restGenes2==listGenes(n)); + if pos + MLEGenes = [MLEGenes; model.genes(restGenes2(pos))]; + finalRemainingGenes(pos, 1) = 0; + end + end +end +MLEGenes = unique(MLEGenes); +finalRemainingGenes(finalRemainingGenes==0) = []; + +remainingGenes = []; +for n = 1:length(finalRemainingGenes) + remainingGenes = [remainingGenes; model.genes(finalRemainingGenes(n))]; +end +%% *Print results:* + +essential_genes +OptimaGenes +ELEGenes +MLEGenes +pFBAnoFluxGenes +%% TIMING +% The tutorial runs in a few minutes. +%% References +% [1] Lewis et al. Omic data from evolved E. coli are consistent with computed +% optimal growth from genome-scale models. _Mol Syst Biol. _6:390 (2010). +% +% [2] Orth, J., Fleming, R.M., Palsson B. Ø. Reconstruction and Use of Microbial +% Metabolic Networks: the Core Escherichia coli Metabolic Model as an Educational +% Guide. _EcoSal Plus._ 4(1) (2010). +% +% [3] Thiele, I., et al. 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.../tutorial_pFBA.m => test2/tutorial_pFBA2.m} | 0 .../tutorial_pFBA.mlx => test2/tutorial_pFBA2.mlx} | Bin analysis/{test => test2}/tutorial_steadyCom2.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test => test2}/README.md (100%) rename analysis/{test/tutorial_pFBA.m => test2/tutorial_pFBA2.m} (100%) rename analysis/{test/tutorial_pFBA.mlx => test2/tutorial_pFBA2.mlx} (100%) rename analysis/{test => test2}/tutorial_steadyCom2.mlx (100%) diff --git a/analysis/test/README.md b/analysis/test2/README.md similarity index 100% rename from analysis/test/README.md rename to analysis/test2/README.md diff --git a/analysis/test/tutorial_pFBA.m b/analysis/test2/tutorial_pFBA2.m similarity index 100% rename from analysis/test/tutorial_pFBA.m rename to analysis/test2/tutorial_pFBA2.m diff --git a/analysis/test/tutorial_pFBA.mlx b/analysis/test2/tutorial_pFBA2.mlx similarity index 100% rename from analysis/test/tutorial_pFBA.mlx rename to analysis/test2/tutorial_pFBA2.mlx diff --git a/analysis/test/tutorial_steadyCom2.mlx b/analysis/test2/tutorial_steadyCom2.mlx similarity index 100% rename from analysis/test/tutorial_steadyCom2.mlx rename to analysis/test2/tutorial_steadyCom2.mlx From 7d4b623048376ef43d2263a1b544a7fc44bc7b46 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Sun, 21 Jan 2024 10:51:39 +0000 Subject: [PATCH 025/129] test3 --- analysis/{test2 => test3}/README.md | 0 .../tutorial_pFBA2.m => test3/tutorial_pFBA3.m} | 0 .../tutorial_pFBA2.mlx => test3/tutorial_pFBA3.mlx} | Bin .../tutorial_steadyCom3.mlx} | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test2 => test3}/README.md (100%) rename analysis/{test2/tutorial_pFBA2.m => test3/tutorial_pFBA3.m} (100%) rename analysis/{test2/tutorial_pFBA2.mlx => test3/tutorial_pFBA3.mlx} (100%) rename analysis/{test2/tutorial_steadyCom2.mlx => test3/tutorial_steadyCom3.mlx} (100%) diff --git a/analysis/test2/README.md b/analysis/test3/README.md similarity index 100% rename from analysis/test2/README.md rename to analysis/test3/README.md diff --git a/analysis/test2/tutorial_pFBA2.m b/analysis/test3/tutorial_pFBA3.m similarity index 100% rename from analysis/test2/tutorial_pFBA2.m rename to analysis/test3/tutorial_pFBA3.m diff --git a/analysis/test2/tutorial_pFBA2.mlx b/analysis/test3/tutorial_pFBA3.mlx similarity index 100% rename from analysis/test2/tutorial_pFBA2.mlx rename to analysis/test3/tutorial_pFBA3.mlx diff --git a/analysis/test2/tutorial_steadyCom2.mlx b/analysis/test3/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test2/tutorial_steadyCom2.mlx rename to analysis/test3/tutorial_steadyCom3.mlx From a68b78bb52439030c362d6474f84ce212206c730 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Sun, 21 Jan 2024 11:21:32 +0000 Subject: [PATCH 026/129] test4 --- analysis/{test3 => test4}/README.md | 0 analysis/{test3 => test4}/tutorial_pFBA3.m | 0 .../tutorial_pFBA3.mlx => test4/tutorial_pFBA4.mlx} | Bin analysis/{test3 => test4}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test3 => test4}/README.md (100%) rename analysis/{test3 => test4}/tutorial_pFBA3.m (100%) rename analysis/{test3/tutorial_pFBA3.mlx => test4/tutorial_pFBA4.mlx} (100%) rename analysis/{test3 => test4}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test3/README.md b/analysis/test4/README.md similarity index 100% rename from analysis/test3/README.md rename to analysis/test4/README.md diff --git a/analysis/test3/tutorial_pFBA3.m b/analysis/test4/tutorial_pFBA3.m similarity index 100% rename from analysis/test3/tutorial_pFBA3.m rename to analysis/test4/tutorial_pFBA3.m diff --git a/analysis/test3/tutorial_pFBA3.mlx b/analysis/test4/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test3/tutorial_pFBA3.mlx rename to analysis/test4/tutorial_pFBA4.mlx diff --git a/analysis/test3/tutorial_steadyCom3.mlx b/analysis/test4/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test3/tutorial_steadyCom3.mlx rename to analysis/test4/tutorial_steadyCom3.mlx From 40c7d452917f3a1929a142a9761f2d1d44c8ba4a Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 22 Jan 2024 14:33:18 +0000 Subject: [PATCH 027/129] Update build.sh --- build.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/build.sh b/build.sh index f317157e..048d0adf 100644 --- a/build.sh +++ b/build.sh @@ -7,8 +7,8 @@ FILE_PATH=$3 # Convert mlx to html using MATLAB command # Note: Ensure that MATLAB is installed and added to the PATH HTML_FILE_PATH=$(echo "$FILE_PATH" | sed 's/.mlx/.html/g') -export DISPLAY=:99 -Xvfb -ac :99 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" +export DISPLAY=:100 +Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" # Clone the destination repository git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git From c9569388081733bc48daf9bba9d3d176969565ec Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Mon, 22 Jan 2024 14:40:34 +0000 Subject: [PATCH 028/129] test5 --- analysis/{test4 => test5}/README.md | 0 analysis/{test4 => test5}/tutorial_pFBA3.m | 0 analysis/{test4 => test5}/tutorial_pFBA4.mlx | Bin analysis/{test4 => test5}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test4 => test5}/README.md (100%) rename analysis/{test4 => test5}/tutorial_pFBA3.m (100%) rename analysis/{test4 => test5}/tutorial_pFBA4.mlx (100%) rename analysis/{test4 => test5}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test4/README.md b/analysis/test5/README.md similarity index 100% rename from analysis/test4/README.md rename to analysis/test5/README.md diff --git a/analysis/test4/tutorial_pFBA3.m b/analysis/test5/tutorial_pFBA3.m similarity index 100% rename from analysis/test4/tutorial_pFBA3.m rename to analysis/test5/tutorial_pFBA3.m diff --git a/analysis/test4/tutorial_pFBA4.mlx b/analysis/test5/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test4/tutorial_pFBA4.mlx rename to analysis/test5/tutorial_pFBA4.mlx diff --git a/analysis/test4/tutorial_steadyCom3.mlx b/analysis/test5/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test4/tutorial_steadyCom3.mlx rename to analysis/test5/tutorial_steadyCom3.mlx From 97a95ec251e49589fca655dcc5e17a09f7efd9df Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 22 Jan 2024 16:35:12 +0000 Subject: [PATCH 029/129] Update build.sh --- build.sh | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 048d0adf..e6e50987 100644 --- a/build.sh +++ b/build.sh @@ -6,7 +6,9 @@ FILE_PATH=$3 # Convert mlx to html using MATLAB command # Note: Ensure that MATLAB is installed and added to the PATH -HTML_FILE_PATH=$(echo "$FILE_PATH" | sed 's/.mlx/.html/g') +ABSOLUTE_FILE_PATH=$(realpath "$FILE_PATH") +HTML_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.html/g') + export DISPLAY=:100 Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" From 51fa48fac4c8358297145ca8b5bb536418f86110 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 22 Jan 2024 16:36:23 +0000 Subject: [PATCH 030/129] Update build.sh --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index e6e50987..cdaee890 100644 --- a/build.sh +++ b/build.sh @@ -10,7 +10,7 @@ ABSOLUTE_FILE_PATH=$(realpath "$FILE_PATH") HTML_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.html/g') export DISPLAY=:100 -Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$FILE_PATH', '$HTML_FILE_PATH')" +Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" # Clone the destination repository git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git From 3a8bbff4da7de7c77723d9af99c95507dd3429c9 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 22 Jan 2024 17:25:41 +0000 Subject: [PATCH 031/129] Update main.yml --- .github/workflows/main.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 4472705f..adccca67 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -24,8 +24,8 @@ jobs: - name: Find changed files id: getfile run: | - files=$(echo "${{ steps.files.outputs.all }}" | grep -E '\.(mlx)$') - echo "::set-output name=file::$files" + files=$(echo "${{ steps.files.outputs.all }}" | tr ' ' '\n' | grep -E '\.mlx$') + echo "::set-output name=file::$files" - name: Give execute permission to the script From 7639240c077fbab9197f1b5b0a9afcdfcbe3188a Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Mon, 22 Jan 2024 17:31:48 +0000 Subject: [PATCH 032/129] test6 --- analysis/{test5 => test6}/README.md | 0 analysis/{test5 => test6}/tutorial_pFBA3.m | 0 analysis/{test5 => test6}/tutorial_pFBA4.mlx | Bin analysis/{test5 => test6}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test5 => test6}/README.md (100%) rename analysis/{test5 => test6}/tutorial_pFBA3.m (100%) rename analysis/{test5 => test6}/tutorial_pFBA4.mlx (100%) rename analysis/{test5 => test6}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test5/README.md b/analysis/test6/README.md similarity index 100% rename from analysis/test5/README.md rename to analysis/test6/README.md diff --git a/analysis/test5/tutorial_pFBA3.m b/analysis/test6/tutorial_pFBA3.m similarity index 100% rename from analysis/test5/tutorial_pFBA3.m rename to analysis/test6/tutorial_pFBA3.m diff --git a/analysis/test5/tutorial_pFBA4.mlx b/analysis/test6/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test5/tutorial_pFBA4.mlx rename to analysis/test6/tutorial_pFBA4.mlx diff --git a/analysis/test5/tutorial_steadyCom3.mlx b/analysis/test6/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test5/tutorial_steadyCom3.mlx rename to analysis/test6/tutorial_steadyCom3.mlx From 3bd01a8df79ccbdeba45935c63bf1654e03834ad Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 08:59:30 +0000 Subject: [PATCH 033/129] Update main.yml --- .github/workflows/main.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index adccca67..dd487806 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -42,8 +42,8 @@ jobs: if [ $counter -eq 0 ] then # This is the first iteration, handle the file differently - ./setup.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file - ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + ./build.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file else ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} fi From 6438e12d61a6354e5d4c56ccc9278858755dae5d Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 09:08:21 +0000 Subject: [PATCH 034/129] Update build.sh --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index cdaee890..4bb0c190 100644 --- a/build.sh +++ b/build.sh @@ -8,7 +8,7 @@ FILE_PATH=$3 # Note: Ensure that MATLAB is installed and added to the PATH ABSOLUTE_FILE_PATH=$(realpath "$FILE_PATH") HTML_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.html/g') - +echo $HTML_FILE_PATH export DISPLAY=:100 Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" From 7a56caaedc23cd8aa19d67caa31744066449da98 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 09:21:56 +0000 Subject: [PATCH 035/129] Update setup.sh --- setup.sh | 17 ++++++++++++++++- 1 file changed, 16 insertions(+), 1 deletion(-) diff --git a/setup.sh b/setup.sh index 0de0910a..6c92329b 100644 --- a/setup.sh +++ b/setup.sh @@ -4,34 +4,49 @@ DEST_REPO=$1 DEST_REPO_TOKEN=$2 FILE_PATH=$3 +echo "Starting script execution..." + # Clone the destination repository +echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git # Split the destination repository into owner and name IFS='/' read -ra ADDR <<< "$DEST_REPO" DEST_REPO_OWNER=${ADDR[0]} DEST_REPO_NAME=${ADDR[1]} +echo "Destination repository owner: $DEST_REPO_OWNER" +echo "Destination repository name: $DEST_REPO_NAME" # Change the current directory to the destination repository +echo "Changing to the destination repository directory: $DEST_REPO_NAME" cd $DEST_REPO_NAME # Set up git config +echo "Setting up git config..." git config user.name "GitHub Action" git config user.email "action@github.com" +echo "Checking out gh-pages branch..." git checkout gh-pages # Extract the directory of the first file TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" +echo "Target directory: $TARGET_DIR" # Create the target directory in the destination repository if it doesn't exist +echo "Creating the target directory if it doesn't exist..." mkdir -p $TARGET_DIR # Delete all contents in the target directory +echo "Deleting all contents in the target directory..." rm -rf $TARGET_DIR/* - # Add, commit and push the files to the destination repository +echo "Adding changes to git..." git add . +echo "Committing changes..." git commit -m "Sync files from source repo" || echo "No changes to commit" +echo "Pushing changes to gh-pages branch..." git push origin gh-pages + +echo "Setup.sh Script execution completed." From 8939b72eb27511d518585d2fa6eba9a8f2d3fee6 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 09:23:54 +0000 Subject: [PATCH 036/129] Update build.sh --- build.sh | 24 ++++++++++++++++++++++-- 1 file changed, 22 insertions(+), 2 deletions(-) diff --git a/build.sh b/build.sh index 4bb0c190..49cb9aa6 100644 --- a/build.sh +++ b/build.sh @@ -4,38 +4,58 @@ DEST_REPO=$1 DEST_REPO_TOKEN=$2 FILE_PATH=$3 +echo "Starting script execution..." + # Convert mlx to html using MATLAB command # Note: Ensure that MATLAB is installed and added to the PATH +echo "Converting .mlx file to .html..." ABSOLUTE_FILE_PATH=$(realpath "$FILE_PATH") HTML_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.html/g') -echo $HTML_FILE_PATH +echo "Absolute file path: $ABSOLUTE_FILE_PATH" +echo "HTML file path: $HTML_FILE_PATH" export DISPLAY=:100 -Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & /home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" +echo "Starting virtual frame buffer..." +Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & +echo "Running MATLAB conversion command..." +/home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" # Clone the destination repository +echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git # Split the destination repository into owner and name IFS='/' read -ra ADDR <<< "$DEST_REPO" DEST_REPO_OWNER=${ADDR[0]} DEST_REPO_NAME=${ADDR[1]} +echo "Destination repository owner: $DEST_REPO_OWNER" +echo "Destination repository name: $DEST_REPO_NAME" # Change the current directory to the destination repository +echo "Changing to the destination repository directory: $DEST_REPO_NAME" cd $DEST_REPO_NAME # Set up git config +echo "Setting up git config..." git config user.name "GitHub Action" git config user.email "action@github.com" +echo "Checking out gh-pages branch..." git checkout gh-pages # Create the target directory in the destination repository +echo "Creating the target directory..." mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" # Copy the file to the target directory in the destination repository +echo "Copying the HTML file to the target directory..." cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" # Add, commit and push the files to the destination repository +echo "Adding changes to git..." git add . +echo "Committing changes..." git commit -m "Sync files from source repo" || echo "No changes to commit" +echo "Pushing changes to gh-pages branch..." git push origin gh-pages + +echo "Script execution completed." From b6b7e0d6ef14039ddc75b536b08ff3996c83f796 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 23 Jan 2024 09:27:29 +0000 Subject: [PATCH 037/129] test7 --- analysis/{test6 => test7}/README.md | 0 analysis/{test6 => test7}/tutorial_pFBA3.m | 0 analysis/{test6 => test7}/tutorial_pFBA4.mlx | Bin analysis/{test6 => test7}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test6 => test7}/README.md (100%) rename analysis/{test6 => test7}/tutorial_pFBA3.m (100%) rename analysis/{test6 => test7}/tutorial_pFBA4.mlx (100%) rename analysis/{test6 => test7}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test6/README.md b/analysis/test7/README.md similarity index 100% rename from analysis/test6/README.md rename to analysis/test7/README.md diff --git a/analysis/test6/tutorial_pFBA3.m b/analysis/test7/tutorial_pFBA3.m similarity index 100% rename from analysis/test6/tutorial_pFBA3.m rename to analysis/test7/tutorial_pFBA3.m diff --git a/analysis/test6/tutorial_pFBA4.mlx b/analysis/test7/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test6/tutorial_pFBA4.mlx rename to analysis/test7/tutorial_pFBA4.mlx diff --git a/analysis/test6/tutorial_steadyCom3.mlx b/analysis/test7/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test6/tutorial_steadyCom3.mlx rename to analysis/test7/tutorial_steadyCom3.mlx From eb9e82a1e0471d27a2faf142d27513d9ffd78ba2 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 09:37:41 +0000 Subject: [PATCH 038/129] Update build.sh --- build.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/build.sh b/build.sh index 49cb9aa6..6042c9a2 100644 --- a/build.sh +++ b/build.sh @@ -48,8 +48,8 @@ mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" # Copy the file to the target directory in the destination repository echo "Copying the HTML file to the target directory..." -cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" - +#cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" +cp $HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" # Add, commit and push the files to the destination repository echo "Adding changes to git..." git add . From 9e0b7abf8edb9012fb675e2409439ed1b612b4de Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 09:40:57 +0000 Subject: [PATCH 039/129] Update build.sh --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 6042c9a2..69707bed 100644 --- a/build.sh +++ b/build.sh @@ -49,7 +49,7 @@ mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" # Copy the file to the target directory in the destination repository echo "Copying the HTML file to the target directory..." #cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" -cp $HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" +cp "$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" # Add, commit and push the files to the destination repository echo "Adding changes to git..." git add . From eca465dc6c258ba6c4c53d32615f4dc90052c188 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 23 Jan 2024 09:41:21 +0000 Subject: [PATCH 040/129] test8 --- analysis/{test7 => test8}/README.md | 0 analysis/{test7 => test8}/tutorial_pFBA3.m | 0 analysis/{test7 => test8}/tutorial_pFBA4.mlx | Bin analysis/{test7 => test8}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test7 => test8}/README.md (100%) rename analysis/{test7 => test8}/tutorial_pFBA3.m (100%) rename analysis/{test7 => test8}/tutorial_pFBA4.mlx (100%) rename analysis/{test7 => test8}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test7/README.md b/analysis/test8/README.md similarity index 100% rename from analysis/test7/README.md rename to analysis/test8/README.md diff --git a/analysis/test7/tutorial_pFBA3.m b/analysis/test8/tutorial_pFBA3.m similarity index 100% rename from analysis/test7/tutorial_pFBA3.m rename to analysis/test8/tutorial_pFBA3.m diff --git a/analysis/test7/tutorial_pFBA4.mlx b/analysis/test8/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test7/tutorial_pFBA4.mlx rename to analysis/test8/tutorial_pFBA4.mlx diff --git a/analysis/test7/tutorial_steadyCom3.mlx b/analysis/test8/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test7/tutorial_steadyCom3.mlx rename to analysis/test8/tutorial_steadyCom3.mlx From 08516e0bb7ee2dffc1c89877335bf589696b7753 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 11:20:37 +0000 Subject: [PATCH 041/129] Update build.sh --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 69707bed..237a4911 100644 --- a/build.sh +++ b/build.sh @@ -49,7 +49,7 @@ mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" # Copy the file to the target directory in the destination repository echo "Copying the HTML file to the target directory..." #cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" -cp "$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" +cp "$HTML_FILE_PATH" "stable/tutorials/$FILE_PATH" # Add, commit and push the files to the destination repository echo "Adding changes to git..." git add . From 28bbf7dc3c8e61cbc02dad125ab188923fe5fde0 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 23 Jan 2024 11:21:55 +0000 Subject: [PATCH 042/129] test9 --- analysis/{test8 => test9}/README.md | 0 analysis/{test8 => test9}/tutorial_pFBA3.m | 0 analysis/{test8 => test9}/tutorial_pFBA4.mlx | Bin analysis/{test8 => test9}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test8 => test9}/README.md (100%) rename analysis/{test8 => test9}/tutorial_pFBA3.m (100%) rename analysis/{test8 => test9}/tutorial_pFBA4.mlx (100%) rename analysis/{test8 => test9}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test8/README.md b/analysis/test9/README.md similarity index 100% rename from analysis/test8/README.md rename to analysis/test9/README.md diff --git a/analysis/test8/tutorial_pFBA3.m b/analysis/test9/tutorial_pFBA3.m similarity index 100% rename from analysis/test8/tutorial_pFBA3.m rename to analysis/test9/tutorial_pFBA3.m diff --git a/analysis/test8/tutorial_pFBA4.mlx b/analysis/test9/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test8/tutorial_pFBA4.mlx rename to analysis/test9/tutorial_pFBA4.mlx diff --git a/analysis/test8/tutorial_steadyCom3.mlx b/analysis/test9/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test8/tutorial_steadyCom3.mlx rename to analysis/test9/tutorial_steadyCom3.mlx From 15086eb632b2b7cd4127d2b4430370670fcf7d7a Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 11:30:58 +0000 Subject: [PATCH 043/129] Update build.sh --- build.sh | 2 ++ 1 file changed, 2 insertions(+) diff --git a/build.sh b/build.sh index 237a4911..f2374d46 100644 --- a/build.sh +++ b/build.sh @@ -34,6 +34,8 @@ echo "Destination repository name: $DEST_REPO_NAME" echo "Changing to the destination repository directory: $DEST_REPO_NAME" cd $DEST_REPO_NAME +echo ls + # Set up git config echo "Setting up git config..." git config user.name "GitHub Action" From 19479a4a7f0fb002f55a222de10172c02d17f6b0 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 11:32:04 +0000 Subject: [PATCH 044/129] Update build.sh --- build.sh | 1 + 1 file changed, 1 insertion(+) diff --git a/build.sh b/build.sh index f2374d46..3ce3209a 100644 --- a/build.sh +++ b/build.sh @@ -34,6 +34,7 @@ echo "Destination repository name: $DEST_REPO_NAME" echo "Changing to the destination repository directory: $DEST_REPO_NAME" cd $DEST_REPO_NAME +echo "examining repo directories to make sure it's the same repo" echo ls # Set up git config From 55670fb2ef855d999cc54f16a6b762e3399d6694 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 23 Jan 2024 11:33:04 +0000 Subject: [PATCH 045/129] test 10 --- analysis/{test9 => test10}/README.md | 0 analysis/{test9 => test10}/tutorial_pFBA3.m | 0 analysis/{test9 => test10}/tutorial_pFBA4.mlx | Bin analysis/{test9 => test10}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test9 => test10}/README.md (100%) rename analysis/{test9 => test10}/tutorial_pFBA3.m (100%) rename analysis/{test9 => test10}/tutorial_pFBA4.mlx (100%) rename analysis/{test9 => test10}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test9/README.md b/analysis/test10/README.md similarity index 100% rename from analysis/test9/README.md rename to analysis/test10/README.md diff --git a/analysis/test9/tutorial_pFBA3.m b/analysis/test10/tutorial_pFBA3.m similarity index 100% rename from analysis/test9/tutorial_pFBA3.m rename to analysis/test10/tutorial_pFBA3.m diff --git a/analysis/test9/tutorial_pFBA4.mlx b/analysis/test10/tutorial_pFBA4.mlx similarity index 100% rename from analysis/test9/tutorial_pFBA4.mlx rename to analysis/test10/tutorial_pFBA4.mlx diff --git a/analysis/test9/tutorial_steadyCom3.mlx b/analysis/test10/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test9/tutorial_steadyCom3.mlx rename to analysis/test10/tutorial_steadyCom3.mlx From 1125492945d1d652283bde68ffa51354d1e69a31 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 23 Jan 2024 11:38:33 +0000 Subject: [PATCH 046/129] Update build.sh --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 3ce3209a..7649a48b 100644 --- a/build.sh +++ b/build.sh @@ -35,7 +35,7 @@ echo "Changing to the destination repository directory: $DEST_REPO_NAME" cd $DEST_REPO_NAME echo "examining repo directories to make sure it's the same repo" -echo ls +echo $ls # Set up git config echo "Setting up git config..." From 9ea67d451cc97a42cc04bb043b62a350b751f969 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 23 Jan 2024 11:39:32 +0000 Subject: [PATCH 047/129] test11 --- analysis/{test10 => test11}/README.md | 0 analysis/{test10 => test11}/tutorial_pFBA3.m | 0 analysis/{test10 => test11}/tutorial_pFBA4.mlx | Bin analysis/{test10 => test11}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test10 => test11}/README.md (100%) rename analysis/{test10 => test11}/tutorial_pFBA3.m (100%) rename analysis/{test10 => test11}/tutorial_pFBA4.mlx (100%) rename analysis/{test10 => test11}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test10/README.md b/analysis/test11/README.md similarity index 100% rename from analysis/test10/README.md rename to analysis/test11/README.md diff --git a/analysis/test10/tutorial_pFBA3.m b/analysis/test11/tutorial_pFBA3.m similarity index 100% rename from analysis/test10/tutorial_pFBA3.m rename to 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2024 11:56:39 +0000 Subject: [PATCH 049/129] test13 --- analysis/{test12 => test13}/README.md | 0 analysis/{test12 => test13}/tutorial_pFBA3.m | 0 analysis/{test12 => test13}/tutorial_pFBA4.mlx | Bin analysis/{test12 => test13}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test12 => test13}/README.md (100%) rename analysis/{test12 => test13}/tutorial_pFBA3.m (100%) rename analysis/{test12 => test13}/tutorial_pFBA4.mlx (100%) rename analysis/{test12 => test13}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test12/README.md b/analysis/test13/README.md similarity index 100% rename from analysis/test12/README.md rename to analysis/test13/README.md diff --git a/analysis/test12/tutorial_pFBA3.m b/analysis/test13/tutorial_pFBA3.m similarity index 100% rename from analysis/test12/tutorial_pFBA3.m rename to analysis/test13/tutorial_pFBA3.m diff --git a/analysis/test12/tutorial_pFBA4.mlx b/analysis/test13/tutorial_pFBA4.mlx similarity index 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Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 23 Jan 2024 12:48:14 +0000 Subject: [PATCH 056/129] test20 --- analysis/{test19 => test20}/README.md | 0 analysis/{test19 => test20}/tutorial_pFBA3.m | 0 analysis/{test19 => test20}/tutorial_pFBA4.mlx | Bin analysis/{test19 => test20}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test19 => test20}/README.md (100%) rename analysis/{test19 => test20}/tutorial_pFBA3.m (100%) rename analysis/{test19 => test20}/tutorial_pFBA4.mlx (100%) rename analysis/{test19 => test20}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test19/README.md b/analysis/test20/README.md similarity index 100% rename from analysis/test19/README.md rename to analysis/test20/README.md diff --git a/analysis/test19/tutorial_pFBA3.m b/analysis/test20/tutorial_pFBA3.m similarity index 100% rename from analysis/test19/tutorial_pFBA3.m rename to analysis/test20/tutorial_pFBA3.m diff --git 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rename from analysis/test46/tutorial_steadyCom3.mlx rename to analysis/test47/tutorial_steadyCom3.mlx From 641bf645c84712868d3f600d6c259aa1035cd1c9 Mon Sep 17 00:00:00 2001 From: BRENNAN Date: Thu, 1 Feb 2024 14:04:32 +0000 Subject: [PATCH 084/129] 48 --- analysis/{test47 => test48}/README.md | 0 analysis/{test47 => test48}/tutorial_pFBA3.m | 0 analysis/{test47 => test48}/tutorial_pFBA4.mlx | Bin analysis/{test47 => test48}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test47 => test48}/README.md (100%) rename analysis/{test47 => test48}/tutorial_pFBA3.m (100%) rename analysis/{test47 => test48}/tutorial_pFBA4.mlx (100%) rename analysis/{test47 => test48}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test47/README.md b/analysis/test48/README.md similarity index 100% rename from analysis/test47/README.md rename to analysis/test48/README.md diff --git a/analysis/test47/tutorial_pFBA3.m b/analysis/test48/tutorial_pFBA3.m similarity 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ecoli_core_model.mat to ecoli_core_model.mat --- .../{ICON-GEMs => ICONGEMs}/ecoli_core_model.mat | Bin 1 file changed, 0 insertions(+), 0 deletions(-) rename analysis/{ICON-GEMs => ICONGEMs}/ecoli_core_model.mat (100%) diff --git a/analysis/ICON-GEMs/ecoli_core_model.mat b/analysis/ICONGEMs/ecoli_core_model.mat similarity index 100% rename from analysis/ICON-GEMs/ecoli_core_model.mat rename to analysis/ICONGEMs/ecoli_core_model.mat From d0eb1d2cde8465afe1ffe105a0d425b330d9c84e Mon Sep 17 00:00:00 2001 From: ThummaratPaklao <81726643+ThummaratPaklao@users.noreply.github.com> Date: Tue, 13 Aug 2024 13:33:56 +0700 Subject: [PATCH 090/129] Update and rename gene_exp.csv to gene_exp.csv --- analysis/{ICON-GEMs => ICONGEMs}/gene_exp.csv | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename analysis/{ICON-GEMs => ICONGEMs}/gene_exp.csv (100%) diff --git a/analysis/ICON-GEMs/gene_exp.csv b/analysis/ICONGEMs/gene_exp.csv similarity index 100% rename from analysis/ICON-GEMs/gene_exp.csv rename to analysis/ICONGEMs/gene_exp.csv From 6bd2e1e8086782f691bb37b0e198f86b26aac89f Mon Sep 17 00:00:00 2001 From: ThummaratPaklao <81726643+ThummaratPaklao@users.noreply.github.com> Date: Tue, 13 Aug 2024 13:34:25 +0700 Subject: [PATCH 091/129] Rename tutorial_Icongems.mlx to tutorial_Icongems.mlx --- .../{ICON-GEMs => ICONGEMs}/tutorial_Icongems.mlx | Bin 1 file changed, 0 insertions(+), 0 deletions(-) rename analysis/{ICON-GEMs => ICONGEMs}/tutorial_Icongems.mlx (100%) diff --git a/analysis/ICON-GEMs/tutorial_Icongems.mlx b/analysis/ICONGEMs/tutorial_Icongems.mlx similarity index 100% rename from analysis/ICON-GEMs/tutorial_Icongems.mlx rename to analysis/ICONGEMs/tutorial_Icongems.mlx From 1482f358ebe52ea823acd54dff45e0b12edec94b Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Fri, 30 Aug 2024 12:12:07 +0100 Subject: [PATCH 092/129] Update build.sh --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 7649a48b..dbf689ba 100644 --- a/build.sh +++ b/build.sh @@ -17,7 +17,7 @@ export DISPLAY=:100 echo "Starting virtual frame buffer..." Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & echo "Running MATLAB conversion command..." -/home/aaron/Documents/Matlab/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" +/usr/local/MATLAB/R2024a/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" # Clone the destination repository echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" From a249660e6cedf628e2942a21d4f85ad34061f642 Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Fri, 30 Aug 2024 12:14:44 +0100 Subject: [PATCH 093/129] s --- analysis/test27/README.md | 7 + analysis/test27/tutorial_pFBA3.m | 300 ++++++++++++++++++++++++ analysis/test27/tutorial_pFBA4.mlx | Bin 0 -> 198154 bytes analysis/test27/tutorial_steadyCom3.mlx | Bin 0 -> 174147 bytes 4 files changed, 307 insertions(+) create mode 100644 analysis/test27/README.md create mode 100644 analysis/test27/tutorial_pFBA3.m create mode 100644 analysis/test27/tutorial_pFBA4.mlx create mode 100644 analysis/test27/tutorial_steadyCom3.mlx diff --git a/analysis/test27/README.md b/analysis/test27/README.md new file mode 100644 index 00000000..f5d149cc --- /dev/null +++ b/analysis/test27/README.md @@ -0,0 +1,7 @@ + +

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    diff --git a/analysis/test27/tutorial_pFBA3.m b/analysis/test27/tutorial_pFBA3.m new file mode 100644 index 00000000..5e93eb8f --- /dev/null +++ b/analysis/test27/tutorial_pFBA3.m @@ -0,0 +1,300 @@ +%% A step-by-step guide to parsimoneous enzyme usage Flux Balance Analysis - pFBA +% *Author(s): Francisco José Pardo Palacios, Ines Thiele, LCSB, University of +% Luxembourg.* +% +% *Reviewer(s): Sebastián Mendoza, Center for Mathematical Modeling, University +% of Chile. Catherine Clancy, LCSB, University of Luxembourg.* +% +% *Lin Wang (Costas D. Maranas Lab), Joshua Chan (Costas D. Maranas Lab), +% Chiam Yu Ng (Costas D. Maranas Lab)* +%% INTRODUCTION +% This tutorial shows how the parsimoneous enzyme usage Flux Balance Analysis +% (pFBA), as described in Lewis et al.$$^1$, has been implemented in The COBRA +% Toolbox as the function |pFBA()|. +% +% The main aim of the tutorial is to explain how the calculations are carried +% out in order to understand the pFBA analysis, and to be able to classify, under +% certain conditions, the genes of a model as: essential, pFBA optima, Enzymatically +% Less Efficient (ELE), Metabolically Less Efficient (MLE) or pFBA no-flux genes +% (Figure 1). +% +% # _*Essential genes:_* metabolic genes necessary for growth in the given media. +% # _*pFBA optima: _*non-essential genes contributing to the optimal growth +% rate and minimum gene-associated flux. +% # _*Enzymatically less efficient (ELE): _*genes requiring more flux through +% enzymatic steps than alternative pathways that meet the same predicted growth +% rate. +% # _*Metabolically less efficient (MLE):_* genes requiring a growth rate reduction +% if used. +% # _*pFBA no-flux:_* genes that are unable to carry flux in the experimental +% conditions. +% +% +% +% +% Figure 1: Gene/enzyme classification scheme used by pFBA +% +% This tutorial will use the_ E. coli core _reconstruction$$^2$ as the model +% of choice, and will be called herein as |modelEcore|. The results obtained could +% then be compared to data from evolved E. coli and observe if the |modelEcore| +% can predict its evolution. In order to investigate this, all the steps described +% in the pFBA flowchart (Figure 2) should be followed, and are demonstrated in +% this tutorial. +% +% +% +% +% Figure 2: pFBA flowchart +%% EQUIPMENT SETUP +%% *Initialize the COBRA Toolbox.* +% If necessary, initialize The Cobra Toolbox using the |initCobraToolbox| function. +%% +initCobraToolbox(false) % false, as we don't want to update +%% *Setting the *optimization* solver.* +% This tutorial will be run with a |'glpk'| package, which is a linear programming +% ('|LP'|) solver. The |'glpk'| package does not require additional instalation +% and configuration. + +solverName = 'glpk'; +solverType = 'LP'; +changeCobraSolver(solverName, solverType); +% changeCobraSolver('ibm_cplex'); +% changeCobraSolver('gurobi'); +%% +% However, for the analysis of larger models, such as Recon 2.04$$^3$, it +% is not recommended to use the |'glpk'| package but rather an industrial strength +% solver, such as the |'gurobi' or 'ibm_cplex'| package. +% +% A solver package may offer different types of optimization programmes to +% solve a problem. The above example used a LP optimization, other types of optimization +% programmes include; mixed-integer linear programming ('|MILP|'), quadratic programming +% ('|QP|'), and mixed-integer quadratic programming ('|MIQP|'). +%% *Model setup.* +% Load the modelEcore, and define the uptake of nutrients by the modelEcore. +% The substrate used is glucose, and for this tutorial limit its uptake up to +% 18 mmol/(gDW·h). + +modelFileName = 'ecoli_core_model.mat'; +modelDirectory = getDistributedModelFolder(modelFileName); %Look up the folder for the distributed Models. +modelFileName= [modelDirectory filesep modelFileName]; % Get the full path. Necessary to be sure, that the right model is loaded +model = readCbModel(modelFileName); +model = changeRxnBounds(model, 'EX_glc(e)', -18, 'l'); +%% PROCEDURE +%% Identify essentail reactions: perform a gene knocked-out analysis. +% If the modelEcore is not able to grow when a certain gene is knocked-out, +% the name of that gene will be saved as an essential gene. Even if a very small +% growth is calculated, the model will be considered as not growing and the gene +% will be recorded in an 'essential_genes' vector. Here no growth is defined as +% growth lower than 0.000001. The remaining non-essentail genes will be stored +% in a 'non_EG' vector. +%% +[grRatio, grRateKO, grRateWT, delRxns,... + hasEffect] = singleGeneDeletion(model, 'FBA', model.genes); +essential_genes = []; +non_EG = []; +tol = 1e-6; +for n = 1:length(grRateKO) + if (grRateKO(n)=tol); +pFBAopt_Rxns = unique(regexprep(pFBAopt_Rxns, '_[f|b]$','')); +pFBAopt_Rxns = setdiff(pFBAopt_Rxns, pFBAEssentialRxns) +ELE_Rxns = model.rxns((abs(minFlux3)+abs(maxFlux3))<=tol); +ELE_Rxns = setdiff(ELE_Rxns, RxnMLEname); +ELE_Rxns = setdiff(ELE_Rxns, ZeroFluxRxns) +RxnELE = findRxnIDs(model, ELE_Rxns); +RxnOptima = findRxnIDs(model, pFBAopt_Rxns); +%% Classify the genes: +% The last step is to associate the genes that are related with each reaction. +% The main point of this is to classify the genes into the 5 different groups +% (Figure 3) and store them into different vectors: +% +% # _*Essential genes:_* metabolic genes necessary for growth in the given media +% ('essential_genes'). +% # _*pFBA optima: _*non-essential genes contributing to the optimal growth +% rate and minimum gene-associated flux ('OptimaGenes'). +% # _*Enzymatically less efficient (ELE): _*genes requiring more flux through +% enzymatic steps than alternative pathways that meet the same predicted growth +% rate ('ELEGenes'). +% # _*Metabolically less efficient (MLE):_* genes requiring a growth rate reduction +% if used ('MLEGenes'). +% # _*pFBA no-flux:_* genes that are unable to carry flux in the experimental +% conditions ('pFBAnoFluxGenes'). +% +% +% +% +% Figure 3: Gene classes retrieved through pFBA. +% +% Some genes may not fit in any of this 5 categories. These genes will be +% saved in a vetor called 'remainingGenes'. +%% +OptimaGenes = []; +restGenes = pFBAfluxGenes; +for i = 1:length(RxnOptima) + listGenes = find(RxnGMat(RxnOptima(i), :)); + for n = 1:length(listGenes) + pos = find(pFBAfluxGenes==listGenes(n)); + if pos + OptimaGenes = [OptimaGenes; model.genes(pFBAfluxGenes(pos))]; + restGenes(pos,1) = 0; + end + end +end +OptimaGenes = unique(OptimaGenes); +restGenes(restGenes==0) = []; + +ELEGenes = []; +restGenes2 = restGenes; +for i = 1:length(RxnELE) + listGenes = find(RxnGMat(RxnELE(i), :)); + for n = 1:length(listGenes) + pos = find(restGenes==listGenes(n)); + if pos + ELEGenes = [ELEGenes; model.genes(restGenes(pos))]; + restGenes2(pos, 1) = 0; + end + end +end +ELEGenes = unique(ELEGenes); +restGenes2(restGenes2==0) = []; + +MLEGenes = []; +finalRemainingGenes = restGenes2; +for i = 1:length(RxnMLE) + listGenes = find(RxnGMat(RxnMLE(i),:)); + for n = 1:length(listGenes) + pos = find(restGenes2==listGenes(n)); + if pos + MLEGenes = [MLEGenes; model.genes(restGenes2(pos))]; + finalRemainingGenes(pos, 1) = 0; + end + end +end +MLEGenes = unique(MLEGenes); +finalRemainingGenes(finalRemainingGenes==0) = []; + +remainingGenes = []; +for n = 1:length(finalRemainingGenes) + remainingGenes = [remainingGenes; model.genes(finalRemainingGenes(n))]; +end +%% *Print results:* + +essential_genes +OptimaGenes +ELEGenes +MLEGenes +pFBAnoFluxGenes +%% TIMING +% The tutorial runs in a few minutes. +%% References +% [1] Lewis et al. Omic data from evolved E. coli are consistent with computed +% optimal growth from genome-scale models. _Mol Syst Biol. _6:390 (2010). +% +% [2] Orth, J., Fleming, R.M., Palsson B. Ø. Reconstruction and Use of Microbial +% Metabolic Networks: the Core Escherichia coli Metabolic Model as an Educational +% Guide. _EcoSal Plus._ 4(1) (2010). +% +% [3] Thiele, I., et al. 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zJ6f_w*3{7-g2h0`MqyB)t@~?3pZ@n|q2l3=HVVB~SdgcKkJVp>{ha{3l-)*#MmV4e zi2fV)PXc}P0qE`E>LVohSN^ZS9vNS4`xtilDKx+vtq}bd63d{|1gi>wyNl+S&>IvvGTmSAK428~#%MKPr;0vXN=ZkAX2i z@OKxuWB(7=zq0(@lGjYIG%qhKjDQ_%42pkK=34lF2t53JJ^lWn#J|G-(*^4 Date: Mon, 2 Sep 2024 13:18:30 +0100 Subject: [PATCH 094/129] new CI test --- .../{tutorial_pFBA4.mlx => tutorial_pFBA4_test.mlx} | Bin 1 file changed, 0 insertions(+), 0 deletions(-) rename analysis/test48/{tutorial_pFBA4.mlx => tutorial_pFBA4_test.mlx} (100%) diff --git a/analysis/test48/tutorial_pFBA4.mlx b/analysis/test48/tutorial_pFBA4_test.mlx similarity index 100% rename from analysis/test48/tutorial_pFBA4.mlx rename to analysis/test48/tutorial_pFBA4_test.mlx From c353bd14deaaf3e51b04eb432f6ee61f231a8335 Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Mon, 2 Sep 2024 13:26:06 +0100 Subject: [PATCH 095/129] CI test --- ...rial_pFBA4_test.mlx => tutorial_pFBA4_test2.mlx} | Bin 1 file changed, 0 insertions(+), 0 deletions(-) rename 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a/analysis/test51/tutorial_steadyCom3.mlx b/analysis/test52/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test51/tutorial_steadyCom3.mlx rename to analysis/test52/tutorial_steadyCom3.mlx From 4997fc40eee6b2ed1312be1021348c1d034e0560 Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Wed, 4 Sep 2024 14:19:08 +0100 Subject: [PATCH 100/129] ci test --- analysis/{test52 => test53}/README.md | 0 analysis/{test52 => test53}/tutorial_pFBA3.m | 0 .../{test52 => test53}/tutorial_pFBA4_test2.mlx | Bin analysis/{test52 => test53}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test52 => test53}/README.md (100%) rename analysis/{test52 => test53}/tutorial_pFBA3.m (100%) rename analysis/{test52 => test53}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test52 => test53}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test52/README.md b/analysis/test53/README.md similarity index 100% rename from analysis/test52/README.md rename to analysis/test53/README.md diff --git a/analysis/test52/tutorial_pFBA3.m b/analysis/test53/tutorial_pFBA3.m similarity index 100% rename from analysis/test52/tutorial_pFBA3.m rename to analysis/test53/tutorial_pFBA3.m diff --git a/analysis/test52/tutorial_pFBA4_test2.mlx b/analysis/test53/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test52/tutorial_pFBA4_test2.mlx rename to analysis/test53/tutorial_pFBA4_test2.mlx diff --git a/analysis/test52/tutorial_steadyCom3.mlx b/analysis/test53/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test52/tutorial_steadyCom3.mlx rename to analysis/test53/tutorial_steadyCom3.mlx From b085833b574c367c60783be7d72fa73c2e8a6d83 Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Mon, 9 Sep 2024 12:49:51 +0100 Subject: [PATCH 101/129] CI test --- analysis/{test53 => test54}/README.md | 0 analysis/{test53 => test54}/tutorial_pFBA3.m | 0 .../{test53 => test54}/tutorial_pFBA4_test2.mlx | Bin analysis/{test53 => test54}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test53 => test54}/README.md (100%) rename analysis/{test53 => test54}/tutorial_pFBA3.m (100%) rename analysis/{test53 => test54}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test53 => test54}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test53/README.md b/analysis/test54/README.md similarity index 100% rename from analysis/test53/README.md rename to analysis/test54/README.md diff --git a/analysis/test53/tutorial_pFBA3.m b/analysis/test54/tutorial_pFBA3.m similarity index 100% rename from analysis/test53/tutorial_pFBA3.m rename to analysis/test54/tutorial_pFBA3.m diff --git a/analysis/test53/tutorial_pFBA4_test2.mlx b/analysis/test54/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test53/tutorial_pFBA4_test2.mlx rename to analysis/test54/tutorial_pFBA4_test2.mlx diff --git a/analysis/test53/tutorial_steadyCom3.mlx b/analysis/test54/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test53/tutorial_steadyCom3.mlx rename to analysis/test54/tutorial_steadyCom3.mlx From a852370a6f8cf5af3dacd96c0a723101d383efbe Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Mon, 9 Sep 2024 13:20:40 +0100 Subject: [PATCH 102/129] ci test --- analysis/{test54 => test55}/README.md | 0 analysis/{test54 => test55}/tutorial_pFBA3.m | 0 .../{test54 => test55}/tutorial_pFBA4_test2.mlx | Bin analysis/{test54 => test55}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test54 => test55}/README.md (100%) rename analysis/{test54 => test55}/tutorial_pFBA3.m (100%) rename analysis/{test54 => test55}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test54 => test55}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test54/README.md b/analysis/test55/README.md similarity index 100% rename from analysis/test54/README.md rename to analysis/test55/README.md diff --git a/analysis/test54/tutorial_pFBA3.m b/analysis/test55/tutorial_pFBA3.m similarity index 100% rename from analysis/test54/tutorial_pFBA3.m rename to analysis/test55/tutorial_pFBA3.m diff --git a/analysis/test54/tutorial_pFBA4_test2.mlx b/analysis/test55/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test54/tutorial_pFBA4_test2.mlx rename to analysis/test55/tutorial_pFBA4_test2.mlx diff --git a/analysis/test54/tutorial_steadyCom3.mlx b/analysis/test55/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test54/tutorial_steadyCom3.mlx rename to analysis/test55/tutorial_steadyCom3.mlx From 34f3d36b2c863cd72de78763652f7c3478657c8d Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 13:21:39 +0100 Subject: [PATCH 103/129] Update setup.sh --- setup.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.sh b/setup.sh index 6c92329b..f496a785 100644 --- a/setup.sh +++ b/setup.sh @@ -8,7 +8,7 @@ echo "Starting script execution..." # Clone the destination repository echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" -git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git +git clone https://$DEST_REPO_TOKEN@github.com/$DEST_REPO.git # Split the destination repository into owner and name IFS='/' read -ra ADDR <<< "$DEST_REPO" From 74789d71837def1902fa46faedc3a332ab3b538b Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Mon, 9 Sep 2024 13:22:52 +0100 Subject: [PATCH 104/129] ci test --- analysis/{test55 => test56}/README.md | 0 analysis/{test55 => test56}/tutorial_pFBA3.m | 0 .../{test55 => test56}/tutorial_pFBA4_test2.mlx | Bin analysis/{test55 => test56}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test55 => test56}/README.md (100%) rename analysis/{test55 => test56}/tutorial_pFBA3.m (100%) rename analysis/{test55 => test56}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test55 => test56}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test55/README.md b/analysis/test56/README.md similarity index 100% rename from analysis/test55/README.md rename to analysis/test56/README.md diff --git a/analysis/test55/tutorial_pFBA3.m b/analysis/test56/tutorial_pFBA3.m similarity index 100% rename from analysis/test55/tutorial_pFBA3.m rename to analysis/test56/tutorial_pFBA3.m diff --git a/analysis/test55/tutorial_pFBA4_test2.mlx b/analysis/test56/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test55/tutorial_pFBA4_test2.mlx rename to analysis/test56/tutorial_pFBA4_test2.mlx diff --git a/analysis/test55/tutorial_steadyCom3.mlx b/analysis/test56/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test55/tutorial_steadyCom3.mlx rename to analysis/test56/tutorial_steadyCom3.mlx From 02374b2525c9813ad8217d7e42480c43cd6f1c0e Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Mon, 9 Sep 2024 13:29:54 +0100 Subject: [PATCH 105/129] ci test --- analysis/{test56 => test57}/README.md | 0 analysis/{test56 => test57}/tutorial_pFBA3.m | 0 .../{test56 => test57}/tutorial_pFBA4_test2.mlx | Bin analysis/{test56 => test57}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test56 => test57}/README.md (100%) rename analysis/{test56 => test57}/tutorial_pFBA3.m (100%) rename analysis/{test56 => test57}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test56 => test57}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test56/README.md b/analysis/test57/README.md similarity index 100% rename from analysis/test56/README.md rename to analysis/test57/README.md diff --git a/analysis/test56/tutorial_pFBA3.m b/analysis/test57/tutorial_pFBA3.m similarity index 100% rename from analysis/test56/tutorial_pFBA3.m rename to analysis/test57/tutorial_pFBA3.m diff --git a/analysis/test56/tutorial_pFBA4_test2.mlx b/analysis/test57/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test56/tutorial_pFBA4_test2.mlx rename to analysis/test57/tutorial_pFBA4_test2.mlx diff --git a/analysis/test56/tutorial_steadyCom3.mlx b/analysis/test57/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test56/tutorial_steadyCom3.mlx rename to analysis/test57/tutorial_steadyCom3.mlx From 059534d3062d216fe9e47994dc626c3d03fcfb20 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 15:43:57 +0100 Subject: [PATCH 106/129] Update setup.sh --- setup.sh | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/setup.sh b/setup.sh index f496a785..850cc7ad 100644 --- a/setup.sh +++ b/setup.sh @@ -1,14 +1,13 @@ #!/bin/bash DEST_REPO=$1 -DEST_REPO_TOKEN=$2 -FILE_PATH=$3 +FILE_PATH=$2 echo "Starting script execution..." -# Clone the destination repository -echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" -git clone https://$DEST_REPO_TOKEN@github.com/$DEST_REPO.git +# Clone the destination repository using SSH +echo "Cloning the destination repository: git@github.com:$DEST_REPO.git" +git clone git@github.com:$DEST_REPO.git # Split the destination repository into owner and name IFS='/' read -ra ADDR <<< "$DEST_REPO" From 75ec9ab5370ca392b405c24dcb2f1c535fae56ba Mon Sep 17 00:00:00 2001 From: Aaron-Magnate Date: Mon, 9 Sep 2024 15:44:16 +0100 Subject: [PATCH 107/129] ci test --- analysis/{test57 => test58}/README.md | 0 analysis/{test57 => test58}/tutorial_pFBA3.m | 0 .../{test57 => test58}/tutorial_pFBA4_test2.mlx | Bin analysis/{test57 => test58}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test57 => test58}/README.md (100%) rename analysis/{test57 => test58}/tutorial_pFBA3.m (100%) rename analysis/{test57 => test58}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test57 => test58}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test57/README.md b/analysis/test58/README.md similarity index 100% rename from analysis/test57/README.md rename to analysis/test58/README.md diff --git a/analysis/test57/tutorial_pFBA3.m b/analysis/test58/tutorial_pFBA3.m similarity index 100% rename from analysis/test57/tutorial_pFBA3.m rename to analysis/test58/tutorial_pFBA3.m diff --git a/analysis/test57/tutorial_pFBA4_test2.mlx b/analysis/test58/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test57/tutorial_pFBA4_test2.mlx rename to analysis/test58/tutorial_pFBA4_test2.mlx diff --git a/analysis/test57/tutorial_steadyCom3.mlx b/analysis/test58/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test57/tutorial_steadyCom3.mlx rename to analysis/test58/tutorial_steadyCom3.mlx From 38c83e8e38fe0ef4700600f4a1be7ad7183fd895 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:03:17 +0100 Subject: [PATCH 108/129] Create fix.sh --- fix.sh | 39 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 39 insertions(+) create mode 100644 fix.sh diff --git a/fix.sh b/fix.sh new file mode 100644 index 00000000..85b540a3 --- /dev/null +++ b/fix.sh @@ -0,0 +1,39 @@ +#!/bin/bash + +DEST_REPO=$1 +FILE_PATH=$2 + +echo "Starting revert script execution..." + +# Clone the destination repository using SSH +echo "Cloning the destination repository: git@github.com:$DEST_REPO.git" +git clone git@github.com:$DEST_REPO.git + +# Split the destination repository into owner and name +IFS='/' read -ra ADDR <<< "$DEST_REPO" +DEST_REPO_OWNER=${ADDR[0]} +DEST_REPO_NAME=${ADDR[1]} +echo "Destination repository owner: $DEST_REPO_OWNER" +echo "Destination repository name: $DEST_REPO_NAME" + +# Change the current directory to the destination repository +echo "Changing to the destination repository directory: $DEST_REPO_NAME" +cd $DEST_REPO_NAME + +# Set up git config +echo "Setting up git config..." +git config user.name "GitHub Action" +git config user.email "action@github.com" + +echo "Checking out gh-pages branch..." +git checkout gh-pages + +# Reset the branch to the previous commit +echo "Resetting to the previous commit..." +git reset --hard HEAD~1 + +# Force push the reset branch +echo "Force pushing the revert..." +git push origin gh-pages --force + +echo "Revert script execution completed." From 95ae949dedb1ef97a7cd1aa779d05264ab29c60e Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:05:28 +0100 Subject: [PATCH 109/129] Update main.yml --- .github/workflows/main.yml | 21 +++++---------------- 1 file changed, 5 insertions(+), 16 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index dd487806..b880e253 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -29,24 +29,13 @@ jobs: - name: Give execute permission to the script - run: chmod +x build.sh + run: chmod +x fix.sh - name: Give execute permission to the other script run: chmod +x setup.sh - - name: Sync with Destination Repo - run: | - counter=0 - for file in ${{ steps.getfile.outputs.file }}; do - if [ $counter -eq 0 ] - then - # This is the first iteration, handle the file differently - ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file - ./build.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file - else - ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} - fi - counter=$((counter+1)) - done - if: steps.getfile.outputs.file != '' + - name: Fix + run: ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} + + From f4583c342c316cd394265103924c3f180fa92bab Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:05:45 +0100 Subject: [PATCH 110/129] Update main.yml --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index b880e253..0007682e 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -36,6 +36,6 @@ jobs: - name: Fix - run: ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} + run: ./fix.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} From 4f400e472501cef3c8486c52a65a57794e0b1461 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Mon, 9 Sep 2024 17:06:31 +0100 Subject: [PATCH 111/129] fix mistake --- analysis/{test58 => test59}/README.md | 0 analysis/{test58 => test59}/tutorial_pFBA3.m | 0 .../{test58 => test59}/tutorial_pFBA4_test2.mlx | Bin analysis/{test58 => test59}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test58 => test59}/README.md (100%) rename analysis/{test58 => test59}/tutorial_pFBA3.m (100%) rename analysis/{test58 => test59}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test58 => test59}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test58/README.md b/analysis/test59/README.md similarity index 100% rename from analysis/test58/README.md rename to analysis/test59/README.md diff --git a/analysis/test58/tutorial_pFBA3.m b/analysis/test59/tutorial_pFBA3.m similarity index 100% rename from analysis/test58/tutorial_pFBA3.m rename to analysis/test59/tutorial_pFBA3.m diff --git a/analysis/test58/tutorial_pFBA4_test2.mlx b/analysis/test59/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test58/tutorial_pFBA4_test2.mlx rename to analysis/test59/tutorial_pFBA4_test2.mlx diff --git a/analysis/test58/tutorial_steadyCom3.mlx b/analysis/test59/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test58/tutorial_steadyCom3.mlx rename to analysis/test59/tutorial_steadyCom3.mlx From 3d5ace7eff607d6815afbcf7222e1f39593855b5 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:20:12 +0100 Subject: [PATCH 112/129] Update main.yml --- .github/workflows/main.yml | 21 ++++++++++++++++----- 1 file changed, 16 insertions(+), 5 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 0007682e..dd487806 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -29,13 +29,24 @@ jobs: - name: Give execute permission to the script - run: chmod +x fix.sh + run: chmod +x build.sh - name: Give execute permission to the other script run: chmod +x setup.sh - - name: Fix - run: ./fix.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} - - + - name: Sync with Destination Repo + run: | + counter=0 + for file in ${{ steps.getfile.outputs.file }}; do + if [ $counter -eq 0 ] + then + # This is the first iteration, handle the file differently + ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + ./build.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + else + ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} + fi + counter=$((counter+1)) + done + if: steps.getfile.outputs.file != '' From 9c42acdf25ff2b2bb9ed292a64cc7208acca7812 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:20:33 +0100 Subject: [PATCH 113/129] Delete fix.sh --- fix.sh | 39 --------------------------------------- 1 file changed, 39 deletions(-) delete mode 100644 fix.sh diff --git a/fix.sh b/fix.sh deleted file mode 100644 index 85b540a3..00000000 --- a/fix.sh +++ /dev/null @@ -1,39 +0,0 @@ -#!/bin/bash - -DEST_REPO=$1 -FILE_PATH=$2 - -echo "Starting revert script execution..." - -# Clone the destination repository using SSH -echo "Cloning the destination repository: git@github.com:$DEST_REPO.git" -git clone git@github.com:$DEST_REPO.git - -# Split the destination repository into owner and name -IFS='/' read -ra ADDR <<< "$DEST_REPO" -DEST_REPO_OWNER=${ADDR[0]} -DEST_REPO_NAME=${ADDR[1]} -echo "Destination repository owner: $DEST_REPO_OWNER" -echo "Destination repository name: $DEST_REPO_NAME" - -# Change the current directory to the destination repository -echo "Changing to the destination repository directory: $DEST_REPO_NAME" -cd $DEST_REPO_NAME - -# Set up git config -echo "Setting up git config..." -git config user.name "GitHub Action" -git config user.email "action@github.com" - -echo "Checking out gh-pages branch..." -git checkout gh-pages - -# Reset the branch to the previous commit -echo "Resetting to the previous commit..." -git reset --hard HEAD~1 - -# Force push the reset branch -echo "Force pushing the revert..." -git push origin gh-pages --force - -echo "Revert script execution completed." From a756693aa2e5f67a6dd471b2d05d905873705d53 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:21:19 +0100 Subject: [PATCH 114/129] Update setup.sh --- setup.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.sh b/setup.sh index 850cc7ad..ffb27ab6 100644 --- a/setup.sh +++ b/setup.sh @@ -37,8 +37,8 @@ echo "Creating the target directory if it doesn't exist..." mkdir -p $TARGET_DIR # Delete all contents in the target directory -echo "Deleting all contents in the target directory..." -rm -rf $TARGET_DIR/* +# echo "Deleting all contents in the target directory..." +# rm -rf $TARGET_DIR/* # Add, commit and push the files to the destination repository echo "Adding changes to git..." From db66cb36db2197c38f4b3c0fc3fd446ca898f1b1 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:22:15 +0100 Subject: [PATCH 115/129] Update main.yml --- .github/workflows/main.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index dd487806..89e955f4 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -42,10 +42,10 @@ jobs: if [ $counter -eq 0 ] then # This is the first iteration, handle the file differently - ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file - ./build.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + ./setup.sh opencobra/cobratoolbox $file + ./build.sh opencobra/cobratoolbox $file else - ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} + ./build.sh openCOBRA/cobratoolbox $file fi counter=$((counter+1)) done From 2f5f24cbc3cedb1722daf948c87287501adb39a7 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Mon, 9 Sep 2024 17:24:10 +0100 Subject: [PATCH 116/129] Update build.sh --- build.sh | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/build.sh b/build.sh index dbf689ba..c1190ca9 100644 --- a/build.sh +++ b/build.sh @@ -1,8 +1,8 @@ #!/bin/bash DEST_REPO=$1 -DEST_REPO_TOKEN=$2 -FILE_PATH=$3 + +FILE_PATH=$2 echo "Starting script execution..." @@ -21,7 +21,7 @@ echo "Running MATLAB conversion command..." # Clone the destination repository echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" -git clone https://AaronBrennan1:$DEST_REPO_TOKEN@github.com/$DEST_REPO.git +git clone git@github.com:$DEST_REPO.git # Split the destination repository into owner and name IFS='/' read -ra ADDR <<< "$DEST_REPO" From c403b2c27b85e9e41b8a082a0299135a89b30092 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 10 Sep 2024 11:40:20 +0100 Subject: [PATCH 117/129] Update setup.sh --- setup.sh | 21 ++++++++++++++------- 1 file changed, 14 insertions(+), 7 deletions(-) diff --git a/setup.sh b/setup.sh index ffb27ab6..c72bfc24 100644 --- a/setup.sh +++ b/setup.sh @@ -32,13 +32,20 @@ git checkout gh-pages TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" echo "Target directory: $TARGET_DIR" -# Create the target directory in the destination repository if it doesn't exist -echo "Creating the target directory if it doesn't exist..." -mkdir -p $TARGET_DIR - -# Delete all contents in the target directory -# echo "Deleting all contents in the target directory..." -# rm -rf $TARGET_DIR/* +# Check if the target directory is exactly "stable/tutorials" +if [[ "$TARGET_DIR" == "stable/tutorials" ]]; then + echo "Target directory is 'stable/tutorials'. Do not delete." +else + echo "Target directory is not 'stable/tutorials'. Proceeding with deletion." + + # Create the target directory in the destination repository if it doesn't exist + echo "Creating the target directory if it doesn't exist..." + mkdir -p $TARGET_DIR + + # Delete all contents in the target directory + echo "Deleting all contents in the target directory..." + rm -rf $TARGET_DIR/* +fi # Add, commit and push the files to the destination repository echo "Adding changes to git..." From 98c0b28460c6ef22da6616658980778462e90e53 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 10 Sep 2024 11:41:14 +0100 Subject: [PATCH 118/129] test60 --- analysis/{test59 => test60}/README.md | 0 analysis/{test59 => test60}/tutorial_pFBA3.m | 0 .../{test59 => test60}/tutorial_pFBA4_test2.mlx | Bin analysis/{test59 => test60}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test59 => test60}/README.md (100%) rename analysis/{test59 => test60}/tutorial_pFBA3.m (100%) rename analysis/{test59 => test60}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test59 => test60}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test59/README.md b/analysis/test60/README.md similarity index 100% rename from analysis/test59/README.md rename to analysis/test60/README.md diff --git a/analysis/test59/tutorial_pFBA3.m b/analysis/test60/tutorial_pFBA3.m similarity index 100% rename from analysis/test59/tutorial_pFBA3.m rename to analysis/test60/tutorial_pFBA3.m diff --git a/analysis/test59/tutorial_pFBA4_test2.mlx b/analysis/test60/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test59/tutorial_pFBA4_test2.mlx rename to analysis/test60/tutorial_pFBA4_test2.mlx diff --git a/analysis/test59/tutorial_steadyCom3.mlx b/analysis/test60/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test59/tutorial_steadyCom3.mlx rename to analysis/test60/tutorial_steadyCom3.mlx From c1694b2a922a4e050d64bd20c8e59170c1373012 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 10 Sep 2024 11:49:26 +0100 Subject: [PATCH 119/129] Update build.sh --- build.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/build.sh b/build.sh index c1190ca9..f15974d6 100644 --- a/build.sh +++ b/build.sh @@ -51,8 +51,8 @@ mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" # Copy the file to the target directory in the destination repository echo "Copying the HTML file to the target directory..." -#cp "../$HTML_FILE_PATH" "stable/tutorials/$HTML_FILE_PATH" -cp "$HTML_FILE_PATH" "stable/tutorials/$FILE_PATH" +cp "$HTML_FILE_PATH" "stable/tutorials/$(basename "$HTML_FILE_PATH")" + # Add, commit and push the files to the destination repository echo "Adding changes to git..." git add . From 664a04aa21d50adc8f5bfafffdb5fa70dbb96466 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 10 Sep 2024 11:50:19 +0100 Subject: [PATCH 120/129] ci test --- analysis/{test60 => test61}/README.md | 0 analysis/{test60 => test61}/tutorial_pFBA3.m | 0 .../{test60 => test61}/tutorial_pFBA4_test2.mlx | Bin analysis/{test60 => test61}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test60 => test61}/README.md (100%) rename analysis/{test60 => test61}/tutorial_pFBA3.m (100%) rename analysis/{test60 => test61}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test60 => test61}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test60/README.md b/analysis/test61/README.md similarity index 100% rename from analysis/test60/README.md rename to analysis/test61/README.md diff --git a/analysis/test60/tutorial_pFBA3.m b/analysis/test61/tutorial_pFBA3.m similarity index 100% rename from analysis/test60/tutorial_pFBA3.m rename to analysis/test61/tutorial_pFBA3.m diff --git a/analysis/test60/tutorial_pFBA4_test2.mlx b/analysis/test61/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test60/tutorial_pFBA4_test2.mlx rename to analysis/test61/tutorial_pFBA4_test2.mlx diff --git a/analysis/test60/tutorial_steadyCom3.mlx b/analysis/test61/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test60/tutorial_steadyCom3.mlx rename to analysis/test61/tutorial_steadyCom3.mlx From 4d20a0d34fd31e681e58577e47f45c6f67b2e719 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 10 Sep 2024 11:56:43 +0100 Subject: [PATCH 121/129] Update setup.sh --- setup.sh | 10 +++------- 1 file changed, 3 insertions(+), 7 deletions(-) diff --git a/setup.sh b/setup.sh index c72bfc24..417d7aea 100644 --- a/setup.sh +++ b/setup.sh @@ -34,20 +34,16 @@ echo "Target directory: $TARGET_DIR" # Check if the target directory is exactly "stable/tutorials" if [[ "$TARGET_DIR" == "stable/tutorials" ]]; then - echo "Target directory is 'stable/tutorials'. Do not delete." + echo "Target directory is 'stable/tutorials'. Do not change." else - echo "Target directory is not 'stable/tutorials'. Proceeding with deletion." + echo "Target directory is not 'stable/tutorials'. Proceeding with creation." # Create the target directory in the destination repository if it doesn't exist echo "Creating the target directory if it doesn't exist..." mkdir -p $TARGET_DIR - - # Delete all contents in the target directory - echo "Deleting all contents in the target directory..." - rm -rf $TARGET_DIR/* fi -# Add, commit and push the files to the destination repository +# Add, commit, and push the files to the destination repository echo "Adding changes to git..." git add . echo "Committing changes..." From 8fc1acea36f8ca4c592e5de970d26ecd3729c747 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 10 Sep 2024 11:59:38 +0100 Subject: [PATCH 122/129] Update build.sh --- build.sh | 21 +++++++++++---------- 1 file changed, 11 insertions(+), 10 deletions(-) diff --git a/build.sh b/build.sh index f15974d6..4312c60b 100644 --- a/build.sh +++ b/build.sh @@ -1,7 +1,6 @@ #!/bin/bash DEST_REPO=$1 - FILE_PATH=$2 echo "Starting script execution..." @@ -13,9 +12,13 @@ ABSOLUTE_FILE_PATH=$(realpath "$FILE_PATH") HTML_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.html/g') echo "Absolute file path: $ABSOLUTE_FILE_PATH" echo "HTML file path: $HTML_FILE_PATH" + +# Setup virtual frame buffer export DISPLAY=:100 echo "Starting virtual frame buffer..." Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & + +# Run MATLAB command to convert .mlx to .html echo "Running MATLAB conversion command..." /usr/local/MATLAB/R2024a/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" @@ -30,13 +33,10 @@ DEST_REPO_NAME=${ADDR[1]} echo "Destination repository owner: $DEST_REPO_OWNER" echo "Destination repository name: $DEST_REPO_NAME" -# Change the current directory to the destination repository +# Change to the destination repository directory echo "Changing to the destination repository directory: $DEST_REPO_NAME" cd $DEST_REPO_NAME -echo "examining repo directories to make sure it's the same repo" -echo $ls - # Set up git config echo "Setting up git config..." git config user.name "GitHub Action" @@ -46,14 +46,15 @@ echo "Checking out gh-pages branch..." git checkout gh-pages # Create the target directory in the destination repository -echo "Creating the target directory..." -mkdir -p "stable/tutorials/$(dirname "$HTML_FILE_PATH")" +TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" +echo "Creating the target directory: $TARGET_DIR" +mkdir -p "$TARGET_DIR" -# Copy the file to the target directory in the destination repository +# Copy the HTML file to the target directory in the destination repository echo "Copying the HTML file to the target directory..." -cp "$HTML_FILE_PATH" "stable/tutorials/$(basename "$HTML_FILE_PATH")" +cp "$HTML_FILE_PATH" "$TARGET_DIR/" -# Add, commit and push the files to the destination repository +# Add, commit, and push the changes echo "Adding changes to git..." git add . echo "Committing changes..." From efe4983ea743f77f6fca5ab6ccbd5648310619e6 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 10 Sep 2024 12:00:14 +0100 Subject: [PATCH 123/129] ci test --- analysis/{test61 => test62}/README.md | 0 analysis/{test61 => test62}/tutorial_pFBA3.m | 0 .../{test61 => test62}/tutorial_pFBA4_test2.mlx | Bin analysis/{test61 => test62}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test61 => test62}/README.md (100%) rename analysis/{test61 => test62}/tutorial_pFBA3.m (100%) rename analysis/{test61 => test62}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test61 => test62}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test61/README.md b/analysis/test62/README.md similarity index 100% rename from analysis/test61/README.md rename to analysis/test62/README.md diff --git a/analysis/test61/tutorial_pFBA3.m b/analysis/test62/tutorial_pFBA3.m similarity index 100% rename from analysis/test61/tutorial_pFBA3.m rename to analysis/test62/tutorial_pFBA3.m diff --git a/analysis/test61/tutorial_pFBA4_test2.mlx b/analysis/test62/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test61/tutorial_pFBA4_test2.mlx rename to analysis/test62/tutorial_pFBA4_test2.mlx diff --git a/analysis/test61/tutorial_steadyCom3.mlx b/analysis/test62/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test61/tutorial_steadyCom3.mlx rename to analysis/test62/tutorial_steadyCom3.mlx From 03d4be52da4aeffd2ddd9d0b0a0f24870c652027 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 10 Sep 2024 12:22:13 +0100 Subject: [PATCH 124/129] Update build.sh --- build.sh | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/build.sh b/build.sh index 4312c60b..5d9e0e4a 100644 --- a/build.sh +++ b/build.sh @@ -50,9 +50,10 @@ TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" echo "Creating the target directory: $TARGET_DIR" mkdir -p "$TARGET_DIR" -# Copy the HTML file to the target directory in the destination repository -echo "Copying the HTML file to the target directory..." +# Copy the HTML and .mlx files to the target directory in the destination repository +echo "Copying the HTML and .mlx files to the target directory..." cp "$HTML_FILE_PATH" "$TARGET_DIR/" +cp "$ABSOLUTE_FILE_PATH" "$TARGET_DIR/" # Add, commit, and push the changes echo "Adding changes to git..." From aeb8fc563b03b6604d407446859c8cddc35e6bb1 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Tue, 10 Sep 2024 12:23:34 +0100 Subject: [PATCH 125/129] Update build.sh --- build.sh | 15 ++++++++++----- 1 file changed, 10 insertions(+), 5 deletions(-) diff --git a/build.sh b/build.sh index 5d9e0e4a..10c57ee3 100644 --- a/build.sh +++ b/build.sh @@ -5,22 +5,26 @@ FILE_PATH=$2 echo "Starting script execution..." -# Convert mlx to html using MATLAB command +# Convert mlx to html and pdf using MATLAB command # Note: Ensure that MATLAB is installed and added to the PATH -echo "Converting .mlx file to .html..." +echo "Converting .mlx file to .html and .pdf..." ABSOLUTE_FILE_PATH=$(realpath "$FILE_PATH") HTML_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.html/g') +PDF_FILE_PATH=$(echo "$ABSOLUTE_FILE_PATH" | sed 's/.mlx/.pdf/g') echo "Absolute file path: $ABSOLUTE_FILE_PATH" echo "HTML file path: $HTML_FILE_PATH" +echo "PDF file path: $PDF_FILE_PATH" # Setup virtual frame buffer export DISPLAY=:100 echo "Starting virtual frame buffer..." Xvfb -ac :100 -screen 0 1280x1024x24 > /dev/null & -# Run MATLAB command to convert .mlx to .html +# Run MATLAB command to convert .mlx to .html and .pdf echo "Running MATLAB conversion command..." /usr/local/MATLAB/R2024a/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$HTML_FILE_PATH')" +echo "Converting to PDF..." +/usr/local/MATLAB/R2024a/bin/matlab -batch "matlab.internal.liveeditor.openAndConvert('$ABSOLUTE_FILE_PATH', '$PDF_FILE_PATH')" # Clone the destination repository echo "Cloning the destination repository: https://github.com/$DEST_REPO.git" @@ -50,9 +54,10 @@ TARGET_DIR="stable/tutorials/$(dirname "$FILE_PATH")" echo "Creating the target directory: $TARGET_DIR" mkdir -p "$TARGET_DIR" -# Copy the HTML and .mlx files to the target directory in the destination repository -echo "Copying the HTML and .mlx files to the target directory..." +# Copy the HTML, PDF, and .mlx files to the target directory in the destination repository +echo "Copying the HTML, PDF, and .mlx files to the target directory..." cp "$HTML_FILE_PATH" "$TARGET_DIR/" +cp "$PDF_FILE_PATH" "$TARGET_DIR/" cp "$ABSOLUTE_FILE_PATH" "$TARGET_DIR/" # Add, commit, and push the changes From c00420e17f12f844751c6914f7a04971780a93e9 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 10 Sep 2024 12:24:24 +0100 Subject: [PATCH 126/129] ci test --- analysis/{test62 => test63}/README.md | 0 analysis/{test62 => test63}/tutorial_pFBA3.m | 0 .../{test62 => test63}/tutorial_pFBA4_test2.mlx | Bin analysis/{test62 => test63}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test62 => test63}/README.md (100%) rename analysis/{test62 => test63}/tutorial_pFBA3.m (100%) rename analysis/{test62 => test63}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test62 => test63}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test62/README.md b/analysis/test63/README.md similarity index 100% rename from analysis/test62/README.md rename to analysis/test63/README.md diff --git a/analysis/test62/tutorial_pFBA3.m b/analysis/test63/tutorial_pFBA3.m similarity index 100% rename from analysis/test62/tutorial_pFBA3.m rename to analysis/test63/tutorial_pFBA3.m diff --git a/analysis/test62/tutorial_pFBA4_test2.mlx b/analysis/test63/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test62/tutorial_pFBA4_test2.mlx rename to analysis/test63/tutorial_pFBA4_test2.mlx diff --git a/analysis/test62/tutorial_steadyCom3.mlx b/analysis/test63/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test62/tutorial_steadyCom3.mlx rename to analysis/test63/tutorial_steadyCom3.mlx From cdb6d09cd0bac0c5669354fd002d0bc22fdc6f44 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Tue, 10 Sep 2024 15:44:36 +0100 Subject: [PATCH 127/129] ci test --- analysis/{test63 => test64}/README.md | 0 analysis/{test63 => test64}/tutorial_pFBA3.m | 0 .../{test63 => test64}/tutorial_pFBA4_test2.mlx | Bin analysis/{test63 => test64}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test63 => test64}/README.md (100%) rename analysis/{test63 => test64}/tutorial_pFBA3.m (100%) rename analysis/{test63 => test64}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test63 => test64}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test63/README.md b/analysis/test64/README.md similarity index 100% rename from analysis/test63/README.md rename to analysis/test64/README.md diff --git a/analysis/test63/tutorial_pFBA3.m b/analysis/test64/tutorial_pFBA3.m similarity index 100% rename from analysis/test63/tutorial_pFBA3.m rename to analysis/test64/tutorial_pFBA3.m diff --git a/analysis/test63/tutorial_pFBA4_test2.mlx b/analysis/test64/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test63/tutorial_pFBA4_test2.mlx rename to analysis/test64/tutorial_pFBA4_test2.mlx diff --git a/analysis/test63/tutorial_steadyCom3.mlx b/analysis/test64/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test63/tutorial_steadyCom3.mlx rename to analysis/test64/tutorial_steadyCom3.mlx From 2385dc476fce74ba4682b101e51bbd093e755a3a Mon Sep 17 00:00:00 2001 From: AaronBrennan1 Date: Wed, 11 Sep 2024 08:31:05 +0100 Subject: [PATCH 128/129] CI Test --- analysis/{test64 => test65}/README.md | 0 analysis/{test64 => test65}/tutorial_pFBA3.m | 0 .../{test64 => test65}/tutorial_pFBA4_test2.mlx | Bin analysis/{test64 => test65}/tutorial_steadyCom3.mlx | Bin 4 files changed, 0 insertions(+), 0 deletions(-) rename analysis/{test64 => test65}/README.md (100%) rename analysis/{test64 => test65}/tutorial_pFBA3.m (100%) rename analysis/{test64 => test65}/tutorial_pFBA4_test2.mlx (100%) rename analysis/{test64 => test65}/tutorial_steadyCom3.mlx (100%) diff --git a/analysis/test64/README.md b/analysis/test65/README.md similarity index 100% rename from analysis/test64/README.md rename to analysis/test65/README.md diff --git a/analysis/test64/tutorial_pFBA3.m b/analysis/test65/tutorial_pFBA3.m similarity index 100% rename from analysis/test64/tutorial_pFBA3.m rename to analysis/test65/tutorial_pFBA3.m diff --git a/analysis/test64/tutorial_pFBA4_test2.mlx b/analysis/test65/tutorial_pFBA4_test2.mlx similarity index 100% rename from analysis/test64/tutorial_pFBA4_test2.mlx rename to analysis/test65/tutorial_pFBA4_test2.mlx diff --git a/analysis/test64/tutorial_steadyCom3.mlx b/analysis/test65/tutorial_steadyCom3.mlx similarity index 100% rename from analysis/test64/tutorial_steadyCom3.mlx rename to analysis/test65/tutorial_steadyCom3.mlx From 7ab561f92d7beef1e8ec153547072f4d8a33c371 Mon Sep 17 00:00:00 2001 From: AaronBrennan1 <68754265+AaronBrennan1@users.noreply.github.com> Date: Fri, 13 Sep 2024 12:55:17 +0100 Subject: [PATCH 129/129] Create readme.md --- .github/workflows/readme.md | 107 ++++++++++++++++++++++++++++++++++++ 1 file changed, 107 insertions(+) create mode 100644 .github/workflows/readme.md diff --git a/.github/workflows/readme.md b/.github/workflows/readme.md new file mode 100644 index 00000000..f76dc1e2 --- /dev/null +++ b/.github/workflows/readme.md @@ -0,0 +1,107 @@ +## Continuous Integration of Tutorials: +### High level Overview +The whole idea of the continuous integration of the tutorials is that whenever a user contributes a tutorial in the format of a .mlx file on the [tutorials repo](https://github.com/opencobra/COBRA.tutorials) it should be converted to html and then rendered accordingly on the Cobratoolbox website in the [tutorials section](https://opencobra.github.io/cobratoolbox/stable/tutorials/index.html). This involves using MATLAB on a self-hosted server (King server) to generate the html file. This html is then pushed to the websites codebase repository which is the [gh-pages branch](https://github.com/opencobra/cobratoolbox/tree/gh-pages) of the main cobratoolbox repository. + +GitHub actions is used to detect when a push (specifically .mlx push) is made to the tutorials repo. Then once the .mlx has been converted it is pushed to the gh-branch of the main repo. Again, GitHub actions can detect this push and configures the website to incorporate the extra tutorial. + +### Detailed Documentation +**Step 1: Pushing MLX files to the tutorials repository:** +To understand GitHub actions you need to look for the github workflow folder where you will find a .yml which contains all the details about the github action. The worflows can be found by navigating to ./.github/workflows/ . In the tutorials repo you will find a ‘[main.yml](https://github.com/opencobra/COBRA.tutorials/blob/master/.github/workflows/main.yml)’ file. + +**What does main.yml do?** +Here is an explanation of each section of the .yml file. Pictures of the sections are added and an explanation is given beneath the picture. + +``` +on: + push: + branches: [ master ] + paths: + - '**.mlx' +``` + + +This section of code basically means it will only run when a push is made to the master branch and one of the file types is a .mlx file. If not .mlx files are pushed, we don’t continue. + +``` +jobs: + copy-changes: + runs-on: self-hosted + steps: + - name: Checkout Source Repo + uses: actions/checkout@v2 + with: + repository: 'openCOBRA/COBRA.tutorials' + token: ${{ secrets.GITHUB_TOKEN }} + fetch-depth: 0 +``` + + +- Next, we have a series of ‘jobs’ to compute. +- The ‘runs-on’ parameter indicates where these jobs are computed. Here I specify it runs on ‘self-hosted’ because we need Matlab on King to run the .mlx to html. Generally, I would avoid using a self-hosted server but since Matlab is not an opensource programming language it needs to be ran a computer which has Matlab installed with a license. +- There are several steps to do in the jobs section. Here the first step is to checkout the source repo i.e. get all the details about the repo and the pushes made to the repo. + +``` +- name: Get All Changed Files + id: files + uses: jitterbit/get-changed-files@v1 + +- name: Find changed files + id: getfile + run: | + files=$(echo "${{ steps.files.outputs.all }}" | tr ' ' '\n' | grep -E '\.mlx$') + echo "::set-output name=file::$files" +``` + + +- Here we have two more steps. The first step in this picture is used to find all the files that have been changed based on the most recent push. +- The next step is then used to find all the .mlx files that were pushed to the repository. + +``` + - name: Give execute permission to the script + run: chmod +x build.sh + + - name: Give execute permission to the other script + run: chmod +x setup.sh +``` + + +The chmod command just makes the .sh files executable. + +**Quick note on setup.sh and build.sh:** + +• The setup.sh script automates the process of synchronizing .mlx files to the ghpages branch of the cobratoolbox GitHub repository. It requires three inputs: the repository identifier in owner/name format, a token for authentication, and the file path of the .mlx files to be synchronized. Upon execution, the script clones the cobratoolbox repository, configures git for automated operations, and targets aspecific directory within stable/tutorials/ to update. It clears this directory and copies the new .mlx files into it, ensuring that any changes are committed and pushed. This operation keeps the gh-pages branch of the cobratoolbox repository consistently updated with the latest .mlx files for documentation or tutorials. + +• The build.sh script is designed for converting .mlx files to .html format and synchronizing them with the gh-pages branch of the cobratoolbox repository,. It takes three arguments: the repository identifier, a token for authentication, and the path of the .mlx file to be converted. Initially, the script converts the .mlx file to .html using MATLAB commands, assuming MATLAB is installed and accessible in the PATH. It then clones the target repository, sets up git with predefined user details, and switches to the gh-pages branch. The script creates a target directory within stable/tutorials/, copies the converted .html file into this directory, and finalizes by committing and pushing the changes. + +• Both files can be found on the tutorial’s repository. Here are the links to [setup.sh](https://github.com/opencobra/COBRA.tutorials/blob/master/setup.sh) and [build.sh](https://github.com/opencobra/COBRA.tutorials/blob/master/build.sh) + +``` + - name: Sync with Destination Repo + run: | + counter=0 + for file in ${{ steps.getfile.outputs.file }}; do + if [ $counter -eq 0 ] + then + # This is the first iteration, handle the file differently + ./setup.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + ./build.sh opencobra/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} $file + else + ./build.sh openCOBRA/cobratoolbox ${{ secrets.DEST_REPO_TOKEN }} + fi + counter=$((counter+1)) + done + if: steps.getfile.outputs.file != '' +``` + +Here is the code to run the setup.sh and build.sh. We loop through all the .mlx files that were pushed. If it is the first file we are looking at we also run setup.sh to create the folder locations in the cobratoolbox – ghpages branch repository. Then afterwards build,sh is ran to convert the file to html and push to the created folder location + +### Configuring the King Server + +Go to this page of the repo to create a new self-hosted runner: + +![image](https://github.com/opencobra/cobratoolbox/assets/68754265/05535af0-9ccf-4c38-9e79-512f738cc0f0) + + +By pressing the green new runner button, you are given easy instructions on how to set it up. You should have access to a terminal on King for this. To run the self-hosted runner nagivate to the folder you created it in and run ./run.sh to run the self-hosted runner. + +You also need to make sure you have Matlab downloaded and working on the king server also. In the ‘[build.sh](https://github.com/opencobra/COBRA.tutorials/blob/master/build.sh)’ file the location of matlab is currently in my directory but you can add Matlab to another location and change the link to the location in the build.sh file.

    + pdf   MLX   M file   viewtutorials +

    +

    + pdf   MLX   M file   viewtutorials +

    +

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