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pdbfixer
Commits
eed66441
Commit
eed66441
authored
Sep 01, 2015
by
Chodera
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Python 3 compatibility; fix issue with chain_numbers
parent
9d054482
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pdbfixer/pdbfixer.py
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pdbfixer/pdbfixer.py
View file @
eed66441
...
@@ -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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