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
GitLab community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
schwede
openstructure
Commits
ec7ca9da
Commit
ec7ca9da
authored
Aug 12, 2019
by
Gerardo Tauriello
Browse files
Options
Downloads
Patches
Plain Diff
SCHWED-3964: fix actions doc layout and examples.
parent
79edde36
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
2
Expand all
Show whitespace changes
Inline
Side-by-side
Showing
2 changed files
actions/ost-compare-structures
+3
-3
3 additions, 3 deletions
actions/ost-compare-structures
modules/doc/actions.rst
+211
-237
211 additions, 237 deletions
modules/doc/actions.rst
with
214 additions
and
240 deletions
actions/ost-compare-structures
+
3
−
3
View file @
ec7ca9da
...
@@ -31,7 +31,7 @@ Only model structures are "Molck-ed" in CAMEO. The call to molck is as follows:
...
@@ -31,7 +31,7 @@ Only model structures are "Molck-ed" in CAMEO. The call to molck is as follows:
molck \\
molck \\
--complib=<COMPOUND LIB> \\
--complib=<COMPOUND LIB> \\
--rm=hyd,oxt,unk \\
--rm=hyd,oxt,unk
,nonstd
\\
--fix-ele \\
--fix-ele \\
--map-nonstd \\
--map-nonstd \\
--out=<OUTPUT> \\
--out=<OUTPUT> \\
...
@@ -45,7 +45,7 @@ compare-structures as follows:
...
@@ -45,7 +45,7 @@ compare-structures as follows:
--reference <REF> \\
--reference <REF> \\
--output output.json \\
--output output.json \\
--molck \\
--molck \\
--remove oxt hyd unk \\
--remove oxt hyd unk
nonstd
\\
--clean-element-column \\
--clean-element-column \\
--map-nonstandard-residues \\
--map-nonstandard-residues \\
--structural-checks \\
--structural-checks \\
...
@@ -243,7 +243,7 @@ def _ParseArgs():
...
@@ -243,7 +243,7 @@ def _ParseArgs():
" * hyd - remove hydrogen atoms\n"
" * hyd - remove hydrogen atoms\n"
" * oxt - remove terminal oxygens\n"
" * oxt - remove terminal oxygens\n"
" * nonstd - remove all residues not one of the 20\n"
" * nonstd - remove all residues not one of the 20\n"
"
*
standard amino acids\n"
"
standard amino acids\n"
" * unk - Remove unknown and atoms not following the\n"
" * unk - Remove unknown and atoms not following the\n"
" nomenclature\n"
" nomenclature\n"
"Defaults to hyd."))
"Defaults to hyd."))
...
...
This diff is collapsed.
Click to expand it.
modules/doc/actions.rst
+
211
−
237
View file @
ec7ca9da
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
sign in
to comment