Handle alternate locations in PDB files correctly

c7d32e9c · Peter Eastman · 34bd3ee9 · c7d32e9c
Commit c7d32e9c authored Feb 11, 2012 by Peter Eastman
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wrappers/python/simtk/openmm/app/pdbfile.py wrappers/python/simtk/openmm/app/pdbfile.py +1 -1

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--- a/wrappers/python/simtk/openmm/app/pdbfile.py
+++ b/wrappers/python/simtk/openmm/app/pdbfile.py
@@ -58,7 +58,7 @@ class PDBFile(object):
                    atomReplacements = PDBFile._atomNameReplacements[resName]
                else:
                    atomReplacements = {}
-                for atom in residue.iter_atoms():
+                for atom in residue.atoms:
                    atomName = atom.get_name()
                    if atomName in atomReplacements:
                        atomName = atomReplacements[atomName]