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
8fa92517
Commit
8fa92517
authored
12 years ago
by
Valerio Mariani
Browse files
Options
Downloads
Patches
Plain Diff
Fixes to usage string
parent
81c175da
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
tools/molck/main.cc
+13
-11
13 additions, 11 deletions
tools/molck/main.cc
with
13 additions
and
11 deletions
tools/molck/main.cc
+
13
−
11
View file @
8fa92517
...
@@ -95,13 +95,13 @@ void usage()
...
@@ -95,13 +95,13 @@ void usage()
{
{
std
::
cerr
<<
"usage: molck [options] file1.pdb [file2.pdb [...]]"
<<
std
::
endl
;
std
::
cerr
<<
"usage: molck [options] file1.pdb [file2.pdb [...]]"
<<
std
::
endl
;
std
::
cerr
<<
"options"
<<
std
::
endl
;
std
::
cerr
<<
"options"
<<
std
::
endl
;
std
::
cerr
<<
" --complib location of the compound library file"
<<
std
::
endl
;
std
::
cerr
<<
" --complib
=path
location of the compound library file"
<<
std
::
endl
;
std
::
cerr
<<
" If not provided, the following locations are searched"
<<
std
::
endl
;
std
::
cerr
<<
"
If not provided, the following locations are searched"
<<
std
::
endl
;
std
::
cerr
<<
" in this order:"
<<
std
::
endl
;
std
::
cerr
<<
"
in this order:"
<<
std
::
endl
;
std
::
cerr
<<
" 1. Working directory"
<<
std
::
endl
;
std
::
cerr
<<
"
1. Working directory"
<<
std
::
endl
;
std
::
cerr
<<
" 2. OpenStructure standard library location"
<<
std
::
endl
;
std
::
cerr
<<
"
2. OpenStructure standard library location"
<<
std
::
endl
;
std
::
cerr
<<
" (if the executable is part of a standard"
<<
std
::
endl
;
std
::
cerr
<<
"
(if the executable is part of a standard"
<<
std
::
endl
;
std
::
cerr
<<
" OpenStructure installation)"
<<
std
::
endl
;
std
::
cerr
<<
"
OpenStructure installation)"
<<
std
::
endl
;
std
::
cerr
<<
" --rm=<a>,<b> remove atoms and residues matching some criteria"
<<
std
::
endl
;
std
::
cerr
<<
" --rm=<a>,<b> remove atoms and residues matching some criteria"
<<
std
::
endl
;
std
::
cerr
<<
" zeroocc - Remove atoms with zero occupancy"
<<
std
::
endl
;
std
::
cerr
<<
" zeroocc - Remove atoms with zero occupancy"
<<
std
::
endl
;
std
::
cerr
<<
" hyd - Remove hydrogen atoms"
<<
std
::
endl
;
std
::
cerr
<<
" hyd - Remove hydrogen atoms"
<<
std
::
endl
;
...
@@ -112,10 +112,12 @@ void usage()
...
@@ -112,10 +112,12 @@ void usage()
<<
" are not supposed to be part of a residue"
<<
std
::
endl
;
<<
" are not supposed to be part of a residue"
<<
std
::
endl
;
std
::
cerr
<<
" --fix-ele clean up element column"
<<
std
::
endl
;
std
::
cerr
<<
" --fix-ele clean up element column"
<<
std
::
endl
;
std
::
cerr
<<
" --stdout write cleaned file(s) to stdout"
<<
std
::
endl
;
std
::
cerr
<<
" --stdout write cleaned file(s) to stdout"
<<
std
::
endl
;
std
::
cerr
<<
" --fileout=blueprint write cleaned file(s) to disk."
<<
std
::
endl
;
std
::
cerr
<<
" --fileout=blueprint write cleaned file(s) to disk"
<<
std
::
endl
;
std
::
cerr
<<
" The blueprint is used to generate the output path and"
<<
std
::
endl
;
std
::
cerr
<<
" The blueprint string, which must contain a % character,"
<<
std
::
endl
;
std
::
cerr
<<
" filemane, substituting % with the original file name"
<<
std
::
endl
;
std
::
cerr
<<
" is used to generate the output filename and path"
<<
std
::
endl
;
std
::
cerr
<<
" minus the extension"
<<
std
::
endl
;
std
::
cerr
<<
" by replacing % with the input file name without"
<<
std
::
endl
;
std
::
cerr
<<
" the extension. Output files automatically add"
<<
std
::
endl
;
std
::
cerr
<<
" '.pdb' extension"
<<
std
::
endl
;
std
::
cerr
<<
" --color=auto|on|off "
<<
std
::
endl
std
::
cerr
<<
" --color=auto|on|off "
<<
std
::
endl
<<
" whether output should be colored"
<<
std
::
endl
;
<<
" whether output should be colored"
<<
std
::
endl
;
std
::
cerr
<<
" --map-nonstd maps modified residues back to the parent amino "
<<
std
::
endl
std
::
cerr
<<
" --map-nonstd maps modified residues back to the parent amino "
<<
std
::
endl
...
...
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