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tsoc
openmm
Commits
6c4ed548
"tests/TestRBTorsionForce.h" did not exist on "27a2456b0fa62eb3df0c3dedbcd3af9ff86a1ec8"
Commit
6c4ed548
authored
Sep 17, 2013
by
Peter Eastman
Browse files
Merge branch 'master' of
https://github.com/peastman/openmm
parents
1f4c5c53
bafc4ede
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
wrappers/python/simtk/openmm/app/internal/pdbstructure.py
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
View file @
6c4ed548
...
...
@@ -180,7 +180,7 @@ class PdbStructure(object):
self
.
sequences
.
append
(
Sequence
(
chain_id
))
self
.
sequences
[
-
1
].
residues
.
extend
(
pdb_line
[
19
:].
split
())
elif
(
pdb_line
.
find
(
"MODRES"
)
==
0
):
self
.
modified_residues
.
append
(
ModifiedResidue
(
pdb_line
[
16
],
int
(
pdb_line
[
18
:
22
]),
pdb_line
[
12
:
15
],
pdb_line
[
24
:
27
]))
self
.
modified_residues
.
append
(
ModifiedResidue
(
pdb_line
[
16
],
int
(
pdb_line
[
18
:
22
]),
pdb_line
[
12
:
15
]
.
strip
()
,
pdb_line
[
24
:
27
]
.
strip
()
))
self
.
_finalize
()
def
write
(
self
,
output_stream
=
sys
.
stdout
):
...
...
Write
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