diff --git a/modelling/src/model.cc b/modelling/src/model.cc index 3b8a13d4753ca0e7c34fb600cbafd58a0c7140e2..404b5b13ae813bd9701227448ef45db6fdcc3cd6 100644 --- a/modelling/src/model.cc +++ b/modelling/src/model.cc @@ -219,7 +219,7 @@ bool CopyIdentical(ResidueView src_res, ResidueHandle dst_res, XCSEditor& edi, continue; } edi.InsertAtom(dst_res, a->GetName(), a->GetPos(), a->GetElement(), - a->GetOccupancy(), a->GetBFactor()); + 1.0, a->GetBFactor()); } return true; } @@ -241,10 +241,10 @@ bool CopyMSE(ResidueView src_res, ResidueHandle dst_res, XCSEditor& edi, } if (a->GetName()=="SE") { edi.InsertAtom(dst_res, "SD", a->GetPos(), "S", - a->GetOccupancy(), a->GetBFactor()); + 1.0, a->GetBFactor()); } else { edi.InsertAtom(dst_res, a->GetName(), a->GetPos(), a->GetElement(), - a->GetOccupancy(), a->GetBFactor()); + 1.0, a->GetBFactor()); } } return true; @@ -319,7 +319,7 @@ bool CopyModified(ResidueView src_res, ResidueHandle dst_res, continue; } edi.InsertAtom(dst_res, a->GetName(), a->GetPos(), a->GetElement(), - a->GetOccupancy(), a->GetBFactor()); + 1.0, a->GetBFactor()); } return true; } @@ -342,7 +342,7 @@ bool CopyNonConserved(ResidueView src_res, ResidueHandle dst_res, continue; } edi.InsertAtom(dst_res, a->GetName(), a->GetPos(), a->GetElement(), - a->GetOccupancy(), a->GetBFactor()); + 1.0, a->GetBFactor()); } } return false;