From 8777e4e7d98a9ec44e47c796d3f49a5a16a0cdc2 Mon Sep 17 00:00:00 2001
From: Niklaus Johner <nij2003@med.cornell.edu>
Date: Wed, 16 Nov 2011 14:17:50 -0500
Subject: [PATCH] Fixed bug in the msms binding. If selection, no_hydrogens,
no_hetatoms or no_waters was used, the surfaces would get attached to wrong
atoms.
---
modules/bindings/pymod/msms.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/bindings/pymod/msms.py b/modules/bindings/pymod/msms.py
index af841ba10..ef1bb4d05 100644
--- a/modules/bindings/pymod/msms.py
+++ b/modules/bindings/pymod/msms.py
@@ -121,7 +121,7 @@ def _ParseAreaFile(entity, selection, file, asa_prop, esa_prop):
raise RuntimeError, "Atom count (%d) unequeal to number of atoms in area file (%d)" % (view.GetAtomCount(), len(area_lines))
for l in area_lines:
atom_no, sesa, sasa = l.split()
- a = entity.atoms[int(atom_no)]
+ a = view.atoms[int(atom_no)]
if asa_prop:
a.SetFloatProp(asa_prop, float(sasa))
if esa_prop:
--
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