diff --git a/loop/src/backbone.cc b/loop/src/backbone.cc index 2445c55fc2b7a1554cf9bb3e35d87f70ba5f5f35..d59aac79df4296b95003efb21e4112b4055547f0 100644 --- a/loop/src/backbone.cc +++ b/loop/src/backbone.cc @@ -274,10 +274,8 @@ void BackboneList::InsertInto(ost::mol::ChainHandle& chain, ost::mol::ResNum n_num = start_resnum; ost::mol::ResNum c_num = start_resnum + this->size() -1; - ost::mol::ResidueHandle before = chain.FindResidue(n_num); - ost::mol::ResidueHandle after = chain.FindResidue(c_num); - // handle n_stem + ost::mol::ResidueHandle before = chain.FindResidue(n_num); if (before.IsValid()) { ost::mol::AtomHandle n = before.FindAtom("N"); @@ -348,8 +346,9 @@ void BackboneList::InsertInto(ost::mol::ChainHandle& chain, } // handle c_stem + ost::mol::ResidueHandle after = chain.FindResidue(c_num); const uint last_idx = size() - 1; - if (after.IsValid()) { + if (n_num != c_num && after.IsValid()) { ost::mol::AtomHandle n = after.FindAtom("N"); ost::mol::AtomHandle ca = after.FindAtom("CA"); @@ -390,7 +389,7 @@ void BackboneList::InsertInto(ost::mol::ChainHandle& chain, edi.RenameResidue(after, ost::conop::OneLetterCodeToResidueName(GetOLC(last_idx))); after.SetOneLetterCode(GetOLC(last_idx)); - } else { // !after.IsValid() + } else if(n_num != c_num) { // !after.IsValid() after = edi.AppendResidue(chain, ost::conop::OneLetterCodeToResidueName(GetOLC(last_idx)), c_num); SetResidueProps(after, GetOLC(last_idx));