diff --git a/modelling/pymod/_pipeline.py b/modelling/pymod/_pipeline.py index 6f149369b31259b54dada119733bac167d7da50f..fdea48505c30f4bb49832cd1182c89babe04acd0 100644 --- a/modelling/pymod/_pipeline.py +++ b/modelling/pymod/_pipeline.py @@ -386,7 +386,9 @@ def CheckFinalModel(mhandle): ost.PopVerbosityLevel() # set bool props in model-residues atoms = [e.GetFirstAtom() for e in clash_info.GetClashList()]\ + + [e.GetSecondAtom() for e in clash_info.GetClashList()]\ + [e.GetFirstAtom() for e in stereo_info.GetBondViolationList()]\ + + [e.GetSecondAtom() for e in stereo_info.GetBondViolationList()]\ + [e.GetSecondAtom() for e in stereo_info.GetAngleViolationList()] for atomui in atoms: res = model_src.FindResidue(atomui.GetChainName(), atomui.GetResNum())