Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
a56ba941
Commit
a56ba941
authored
Nov 25, 2015
by
Rafal P. Wiewiora
Browse files
add CONECT bonds for multimodel pdb files
parent
83cfc856
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
wrappers/python/simtk/openmm/app/pdbfile.py
wrappers/python/simtk/openmm/app/pdbfile.py
+1
-1
No files found.
wrappers/python/simtk/openmm/app/pdbfile.py
View file @
a56ba941
...
@@ -154,7 +154,7 @@ class PDBFile(object):
...
@@ -154,7 +154,7 @@ class PDBFile(object):
# Add bonds based on CONECT records.
# Add bonds based on CONECT records.
connectBonds
=
[]
connectBonds
=
[]
for
connect
in
pdb
.
models
[
0
].
connects
:
for
connect
in
pdb
.
models
[
-
1
].
connects
:
i
=
connect
[
0
]
i
=
connect
[
0
]
for
j
in
connect
[
1
:]:
for
j
in
connect
[
1
:]:
if
i
in
atomByNumber
and
j
in
atomByNumber
:
if
i
in
atomByNumber
and
j
in
atomByNumber
:
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment