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Studer Gabriel authored
The default behaviour is to only allow ligands from mmCIF if they're present in the PDB chemical component dictionary. Reason for that is the connectivity information we get from there. Actively enabling this flag in the compare-ligand-structures action allows to use a distance based heuristic as fallback if the ligand is not in the dicitonary.
Studer Gabriel authoredThe default behaviour is to only allow ligands from mmCIF if they're present in the PDB chemical component dictionary. Reason for that is the connectivity information we get from there. Actively enabling this flag in the compare-ligand-structures action allows to use a distance based heuristic as fallback if the ligand is not in the dicitonary.
