diff --git a/modules/conop/src/heuristic_builder.cc b/modules/conop/src/heuristic_builder.cc index 5c27610eaa153c19c58ff6b51c68bb0fa23871a4..644771764b9325a8601cf56e54615c711e12cea1 100644 --- a/modules/conop/src/heuristic_builder.cc +++ b/modules/conop/src/heuristic_builder.cc @@ -418,7 +418,13 @@ void HeuristicBuilder::FillResidueProps(mol::ResidueHandle residue) { residue.SetChemClass(mol::ChemClass(ret.first.GetChemClass())); residue.SetOneLetterCode(ret.first.GetOneLetterCode()); } else { - residue.SetChemClass(mol::ChemClass(mol::ChemClass::Unknown)); + if (residue.FindAtom("N") && residue.FindAtom("CA") && + residue.FindAtom("C") && residue.FindAtom("O")) { + residue.SetChemClass(mol::ChemClass(mol::ChemClass::LPeptideLinking)); + } else { + residue.SetChemClass(mol::ChemClass(mol::ChemClass::Unknown)); + } + residue.SetOneLetterCode('?'); }