From ba6e54f9d8d110a2babb5a39ba6781c704521b4e Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 23 Dec 2015 09:53:40 +0100
Subject: [PATCH] bugfix
---
modules/mol/mm/src/modeller.cc | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/mm/src/modeller.cc b/modules/mol/mm/src/modeller.cc
index 808d86345..1a9da3094 100644
--- a/modules/mol/mm/src/modeller.cc
+++ b/modules/mol/mm/src/modeller.cc
@@ -36,7 +36,7 @@ bool BoundToSG(const ost::mol::AtomHandle& atom){
ost::mol::AtomHandleList bound_atoms = atom.GetBondPartners();
for(ost::mol::AtomHandleList::iterator i = bound_atoms.begin();
i != bound_atoms.end(); ++i){
- if(i->GetResidue() != atom.GetResidue()) continue;
+ if(i->GetResidue() == atom.GetResidue()) continue;
if(i->GetName() != "SG") continue;
if(IsCysteine(i->GetResidue())) return true;
}
--
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