Commit eed66441 by Chodera

Python 3 compatibility; fix issue with chain_numbers

parent 9d054482
...@@ -775,9 +775,8 @@ class PDBFixer(object): ...@@ -775,9 +775,8 @@ class PDBFixer(object):
deleteAtoms = [] # list of atoms to delete deleteAtoms = [] # list of atoms to delete
# Find atoms that should be deleted. # Find atoms that should be deleted.
for residue, replaceWith in residue_map.iteritems(): for residue in residue_map.keys():
if residue.chain.index != chain_number: replaceWith = residue_map[residue]
continue # Only modify specified chain
residue.name = replaceWith residue.name = replaceWith
template = self.templates[replaceWith] template = self.templates[replaceWith]
standardAtoms = set(atom.name for atom in template.topology.atoms()) standardAtoms = set(atom.name for atom in template.topology.atoms())
......
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