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Compatible software |
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generate, store and share the data extracted from a set of NMR spectra associated to a compound
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This list is tentative - It has not been validated by (all) the authors.
| Software Platform | Product/tool | Developer | Language/Operating system | Version | NMReDATA | Supported NMReDATA versions | NMR Record | Examples of output | Documentation | License/availability |
|---|---|---|---|---|---|---|---|---|---|---|
| JSmol | J_reader | Angel Herraeez | JavaScript | V 1.0 | Visualize/edit tags, generate/edit 3D structures | 2.0 | Read/Add Files/Write | pending... | main features | |
| Tospin | CMC-se Included in the freee Topspin licence for academia | Bruker Biospin | Any system running Topspin | V 4.0.8 | read/write | 1.1 | Write | pending | CMC-se manual | 1 |
| nmrshiftdb2 | QuickCheck | Stefan Kuhn | Web browser | 4.1.12 | generate/write | 1.0 & 1.1 | generate | link | ||
| Javatools | see github | Stefan Kuhn | Any Java-enabled | Pre-alpha | generate/write/validate | 1.0 & 1.1 | generate | 2 | LGPL v3.0 | |
| Spectrus | Spectrus using a script | ACD/Labs | Windows | v. 2017.2 and above | generate/write | 1.0 | generate/write | |||
| Mnova | Export option | Mestrelab | Any system running Mnova | V.1 | generate | 1.1 | write (reading - underdevelopement) | pending... | ||
| Mnova | Mnova script exporting .mnova files | Damien Jeannerat | Any system running Mnova | V.1.1 (see below) | generate | 1.1 | generate (When spectra are available) | NMR records | ||
| cheminfo | nmredata | Alejandro Bolanos Julien Wist | Javascript node module | V? | read/write? | 1.1 | generate (When spectra are available) | pending request | https://github.com/cheminfo/nmredata | |
| WebCocon | Export option | Jochen Junker | Web browser | V? | write | 1.1 | n/a | pending request | https://cocon-nmr.de/media/files/Manual.pdf | |
Working software and tools
| Software Platform | Product/tool | Developer | Language/Operating system | Version | NMReDATA | NMR Record | Examples of output |
|---|---|---|---|---|---|---|---|
| Mnova | Mnova NMR | Mestrelab | Mac OS, Windows, Linux? | Announced for Q1 2018 | ? | ||
| Matlab/Octave | NMReDATA_View | Damien Jeannerat | Any system running matalab/octave | V0 (will be on GitHub) when ready for test | read | read | |
| NOMAD | Tomas Lebl | ||||||
| Firefox/Google Chrome | Julien Wist | Any running Firefox/Google Chrome | generate | generate | |||
Announced Software & tools
The unix script written for Mac converting Mnova files to nmredata.sdf files and generating NMR records (when the spectral data are at their original locations) was written by Damien Jeannerat. It is available on github. It is probably also working on linux systems. It requires Mnova to be installed because it relies on Mnova script for the generation of the NMReDATA.
