diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 09f578e7887b6ea12275e5f1c13006746c398530..4b1c57d4096c1d67a620b90f5b638c0b0fe2410e 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -1154,6 +1154,7 @@ class LigandScorer: self.__model_mapping = chain_mapping.MappingResult(chain_mapper.target, mdl, chain_mapper.chem_groups, + chem_mapping, final_mapping, alns) def _ResidueToGraph(residue, by_atom_index=False):