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Add KLIFS structures' modified residues #110

Merged
merged 9 commits into from
Oct 4, 2021
Merged

Add KLIFS structures' modified residues #110

merged 9 commits into from
Oct 4, 2021

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dominiquesydow
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@dominiquesydow dominiquesydow commented Oct 4, 2021 •
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Description

Add structure conformations to opencadd.databases.klifs via KLIFS API Structures.structure_modified_residues(structure_ID)
Part of #85

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Add StructureModifiedResidues class; add Session.modified_residues attribute
  • Add tests
  • Update tutorial with conformations section

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None.

Status

  • Ready to go

@dominiquesydow dominiquesydow self-assigned this Oct 4, 2021
@dominiquesydow dominiquesydow added enhancement New feature or request module-databases-klifs Concerns opencadd.databases.klifs module labels Oct 4, 2021
@dominiquesydow dominiquesydow mentioned this pull request Oct 4, 2021
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@dominiquesydow dominiquesydow linked an issue Oct 4, 2021 that may be closed by this pull request
Extend KLIFS API usage (drugs, conformations, modifications) #85
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@dominiquesydow dominiquesydow merged commit 2a7565f into master Oct 4, 2021
@dominiquesydow dominiquesydow deleted the klifs-modified-res branch October 4, 2021 13:46
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enhancement New feature or request module-databases-klifs Concerns opencadd.databases.klifs module
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Extend KLIFS API usage (drugs, conformations, modifications)
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