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Commit 533dcced authored by Gerardo Tauriello's avatar Gerardo Tauriello
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SCHWED-3566: Report all stereo chemical problems correctly.

parent b2437e6d
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...@@ -386,7 +386,9 @@ def CheckFinalModel(mhandle): ...@@ -386,7 +386,9 @@ def CheckFinalModel(mhandle):
ost.PopVerbosityLevel() ost.PopVerbosityLevel()
# set bool props in model-residues # set bool props in model-residues
atoms = [e.GetFirstAtom() for e in clash_info.GetClashList()]\ 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.GetFirstAtom() for e in stereo_info.GetBondViolationList()]\
+ [e.GetSecondAtom() for e in stereo_info.GetBondViolationList()]\
+ [e.GetSecondAtom() for e in stereo_info.GetAngleViolationList()] + [e.GetSecondAtom() for e in stereo_info.GetAngleViolationList()]
for atomui in atoms: for atomui in atoms:
res = model_src.FindResidue(atomui.GetChainName(), atomui.GetResNum()) res = model_src.FindResidue(atomui.GetChainName(), atomui.GetResNum())
......
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