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tsoc
openmm
Commits
c7d32e9c
Commit
c7d32e9c
authored
Feb 11, 2012
by
Peter Eastman
Browse files
Handle alternate locations in PDB files correctly
parent
34bd3ee9
Changes
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wrappers/python/simtk/openmm/app/pdbfile.py
wrappers/python/simtk/openmm/app/pdbfile.py
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wrappers/python/simtk/openmm/app/pdbfile.py
View file @
c7d32e9c
...
...
@@ -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
]
...
...
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