Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
O
openstructure
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Container registry
Model registry
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
schwede
openstructure
Commits
6020efa9
Commit
6020efa9
authored
14 years ago
by
Marco Biasini
Browse files
Options
Downloads
Patches
Plain Diff
fix problem when writing multiple models.
This is a regression from the io-profiles branch.
parent
949c8e20
No related branches found
No related tags found
No related merge requests found
Changes
2
Hide whitespace changes
Inline
Side-by-side
Showing
2 changed files
modules/io/pymod/__init__.py
+1
-1
1 addition, 1 deletion
modules/io/pymod/__init__.py
modules/io/pymod/export_pdb_io.cc
+4
-0
4 additions, 0 deletions
modules/io/pymod/export_pdb_io.cc
with
5 additions
and
1 deletion
modules/io/pymod/__init__.py
+
1
−
1
View file @
6020efa9
...
...
@@ -204,7 +204,7 @@ def SavePDB(models, filename, dialect=None, pqr=False, profile='DEFAULT'):
writer
=
PDBWriter
(
filename
,
profile
)
writer
.
SetIsPQR
(
pqr
)
if
len
(
models
)
>
1
:
writer
.
SetM
ulti
M
odel
(
True
)
writer
.
write_m
ulti
_m
odel
=
True
for
model
in
models
:
writer
.
Write
(
model
)
...
...
This diff is collapsed.
Click to expand it.
modules/io/pymod/export_pdb_io.cc
+
4
−
0
View file @
6020efa9
...
...
@@ -72,6 +72,10 @@ void export_pdb_io()
.
def
(
"Write"
,
write_a
)
.
def
(
"SetIsPQR"
,
&
PDBWriter
::
SetIsPQR
)
.
def
(
"IsPQR"
,
&
PDBWriter
::
IsPQR
)
.
def
(
"SetWriteMultiModel"
,
&
PDBWriter
::
SetWriteMultiModel
)
.
def
(
"GetWriteMultiModel"
,
&
PDBWriter
::
GetWriteMultiModel
)
.
add_property
(
"write_multi_model"
,
&
PDBWriter
::
GetWriteMultiModel
,
&
PDBWriter
::
SetWriteMultiModel
)
.
def
(
"Write"
,
write_b
)
;
}
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment