tkrojer
commented
4 years ago - XChemDeposit: remove _pdbx_related_exp_data_set block because PanDDA ZENODO upload is not required
- XChemDeposit: add _pdbx_contact_author.identifier_ORCID field
- XChemDeposit: add pdbx_keywords dropdown
- added helper script to reset occupancy of all protein residues with single conformer to 1.00
- XChemDeposit: add ligand cif file to structure mmcif file