tkrojer
commented
4 years ago - XChemUtils: get BUSTER from PROGRAM REMARK
- XChemDeposit: usage of model mmcif file disabled because of unclear errors during group deposition
- XChemDeposit: do not add ligand cif to model mmcif because Buster does already include it
- XChemDeposit: use pdb_extract v3.26 when using mmcif instead of pdb files