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Support for chemical component dictionary #132
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@brindakv Do you mean to add a function which, given an ID like |
@benmwebb Yes, that would be one of the requirements. In addition to formula weight, full name, etc., ( I agree a Ligand Expo API would be very useful. I will find out and update. |
@benmwebb Here's an update on using RCSB.org APIs to get chemical component information. Cif file for chemical components: https://files.rcsb.org/ligands/download/522.cif We can only get chemical components from released entries. |
Consider adding support to check for existing chemical component ids and their nomenclature in the wwPDB chemical component dictionary.
With more depositions with ligands and branched chain entities, it will be useful if python-ihm can support the definitions in the CCD.
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