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tsoc
openmm
Commits
a56ba941
"openmmapi/vscode:/vscode.git/clone" did not exist on "de180e4e94814ee2c83fde13b0f60e3836b43d2f"
Commit
a56ba941
authored
Nov 25, 2015
by
Rafal P. Wiewiora
Browse files
add CONECT bonds for multimodel pdb files
parent
83cfc856
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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 @
a56ba941
...
...
@@ -154,7 +154,7 @@ class PDBFile(object):
# Add bonds based on CONECT records.
connectBonds
=
[]
for
connect
in
pdb
.
models
[
0
].
connects
:
for
connect
in
pdb
.
models
[
-
1
].
connects
:
i
=
connect
[
0
]
for
j
in
connect
[
1
:]:
if
i
in
atomByNumber
and
j
in
atomByNumber
:
...
...
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