diff --git a/modules/mol/alg/src/molck.cc b/modules/mol/alg/src/molck.cc index 294e996b97944e04283830bc0b58ebe380a81603..ef5585d897e74bfd079066ac37ffc57ac774cf7e 100644 --- a/modules/mol/alg/src/molck.cc +++ b/modules/mol/alg/src/molck.cc @@ -2,6 +2,7 @@ #include <ost/mol/alg/nonstandard.hh> #include <ost/conop/model_check.hh> #include <ost/conop/amino_acids.hh> +#include <ost/conop/rule_based.hh> #include <ost/mol/alg/molck.hh> using namespace ost::conop; @@ -39,10 +40,13 @@ void ost::mol::alg::MapNonStandardResidues(EntityHandle& ent, CompoundLibPtr lib } ResidueHandle dest_res = new_edi.AppendResidue(new_chain,OneLetterCodeToResidueName(compound->GetOneLetterCode()),r->GetNumber()); ost::mol::alg::CopyResidue(*r,dest_res,new_edi,lib); - } - } + } + } } ent = new_ent; + // Since we didn't do it in-place: reprocess the new entity + RuleBasedProcessor pr(lib); + pr.Process(ent); } void ost::mol::alg::RemoveAtoms(