Add KLIFS structures' modified residues - Githubissues

volkamerlab / opencadd

A Python library for structural cheminformatics

https://opencadd.readthedocs.io

MIT License

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Add KLIFS structures' modified residues #110

Closed dominiquesydow closed 2 years ago

dominiquesydow commented 2 years ago

Description

Add structure conformations to opencadd.databases.klifs via KLIFS API Structures.structure_modified_residues(structure_ID) Part of https://github.com/volkamerlab/opencadd/issues/85

API: https://dev.klifs.net/swagger_v2/#/Structures/get_structure_modified_residues
Model docs: https://dev.klifs.net/swagger_v2/# > ModifiedResiduesList

Todos

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

[x] Add StructureModifiedResidues class; add Session.modified_residues attribute
[x] Add tests
[x] Update tutorial with conformations section

Questions

None.

Status

[x] Ready to go