From 2ce784f1d643b4c30ea97707ddcfb04533937921 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Mon, 27 Jun 2016 13:40:42 +0200
Subject: [PATCH] Fixed occupancy for atoms taken from templates (set all to
1).
---
modelling/src/model.cc | 10 +++++-----
1 file changed, 5 insertions(+), 5 deletions(-)
diff --git a/modelling/src/model.cc b/modelling/src/model.cc
index 3b8a13d4..404b5b13 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;
--
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