Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.6/galaxyconfigs/tools/MolDepict.xml @ 18:026f5a483650 draft default tip
Deleted selected files
author | marcel |
---|---|
date | Sun, 30 Nov 2014 03:47:45 -0500 |
parents | 25a03362403c |
children |
line wrap: on
line diff
--- a/CADDSuite-1.6/galaxyconfigs/tools/MolDepict.xml Sat Dec 15 13:10:41 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,28 +0,0 @@ - -<!--This is a configuration file for the integration of a CADDSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.--> -<tool id="moldepict" name="MolDepict" version="1.6"> - <description>create structure diagrams</description> - <command interpreter="bash"><![CDATA[../../MolDepict -#if str( $i ) != '' and str( $i ) != 'None' : - -i "$i" -#end if -#if str( $o ) != '' and str( $o ) != 'None' : - -o "$o" -#end if -#if str( $max ) != '' and str( $max ) != 'None' : - -max "$max" -#end if - | tail -n 5 -]]></command> - <inputs> - <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> - <param name="max" optional="true" label="Optional: maximal number of pictures (default=60, 0=unlimited)" type="text" area="true" size="1x5" value="60"/> - </inputs> - <outputs> - <data name="o" format="pdf"/> - </outputs> - <help>This tool create structure diagrams for small molecules. -Supported input-formats are mol, mol2, sdf, drf. - -Output of this tool is one pdf-file containing the structure diagrams for all molecules in the input-file.</help> -</tool> \ No newline at end of file