Mercurial > repos > marcel > caddsuite_linux_x86_64
view CADDSuite-1.5/galaxyconfigs/tools/MolDepict.xml @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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<!--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="1.5"> <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>