diff --git a/modules/mol/alg/pymod/scoring.py b/modules/mol/alg/pymod/scoring.py index 9da83733d8895695639910bf7043220308fd69a2..9c69bb007fe1a082b1a99ad137b4423ecbec62ca 100644 --- a/modules/mol/alg/pymod/scoring.py +++ b/modules/mol/alg/pymod/scoring.py @@ -1136,14 +1136,15 @@ class Scorer: full_trg_coverage = True trg_patch_one = self.target.CreateEmptyView() for r in mdl_patch_one.residues: - mdl_cname = r.GetChain().GetName() - aln = self.mapping.alns[(flat_mapping[mdl_cname], mdl_cname)] trg_r = None - for col in aln: - if col[0] != '-' and col[1] != '-': - if col.GetResidue(1).GetNumber() == r.GetNumber(): - trg_r = col.GetResidue(0) - break + mdl_cname = r.GetChain().GetName() + if mdl_cname in flat_mapping: + aln = self.mapping.alns[(flat_mapping[mdl_cname], mdl_cname)] + for col in aln: + if col[0] != '-' and col[1] != '-': + if col.GetResidue(1).GetNumber() == r.GetNumber(): + trg_r = col.GetResidue(0) + break if trg_r is not None: trg_patch_one.AddResidue(trg_r.handle, mol.ViewAddFlag.INCLUDE_ALL) @@ -1152,14 +1153,15 @@ class Scorer: trg_patch_two = self.target.CreateEmptyView() for r in mdl_patch_two.residues: - mdl_cname = r.GetChain().GetName() - aln = self.mapping.alns[(flat_mapping[mdl_cname], mdl_cname)] trg_r = None - for col in aln: - if col[0] != '-' and col[1] != '-': - if col.GetResidue(1).GetNumber() == r.GetNumber(): - trg_r = col.GetResidue(0) - break + mdl_cname = r.GetChain().GetName() + if mdl_cname in flat_mapping: + aln = self.mapping.alns[(flat_mapping[mdl_cname], mdl_cname)] + for col in aln: + if col[0] != '-' and col[1] != '-': + if col.GetResidue(1).GetNumber() == r.GetNumber(): + trg_r = col.GetResidue(0) + break if trg_r is not None: trg_patch_two.AddResidue(trg_r.handle, mol.ViewAddFlag.INCLUDE_ALL)