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tsoc
openmm
Commits
572160e3
"platforms/cpu/vscode:/vscode.git/clone" did not exist on "79011828c23dbaf7c76d2e9fca2463a967804a15"
Commit
572160e3
authored
Sep 30, 2013
by
Robert McGibbon
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parent
4ab13768
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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 @
572160e3
...
...
@@ -287,7 +287,7 @@ class PDBFile(object):
else
:
atomName
=
atom
.
name
coords
=
positions
[
posIndex
]
line
=
"ATOM %5d %-4s %3s %s%4d %s%s%s 1.00 0.00
%-
2s "
%
(
line
=
"ATOM %5d %-4s %3s %s%4d %s%s%s 1.00 0.00
%
2s
"
%
(
atomIndex
%
100000
,
atomName
,
resName
,
chainName
,
(
resIndex
+
1
)
%
10000
,
_format_83
(
coords
[
0
]),
_format_83
(
coords
[
1
]),
_format_83
(
coords
[
2
]),
atom
.
element
.
symbol
)
...
...
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