view CADDSuite/galaxyconfigs/tools/MolDepict.xml @ 3:bb26168c5715

author marcel
date Tue, 12 Jul 2011 10:53:07 -0400
children af446ca2d5c6
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<!--This is a configuration file for the integration of a CADDSuite tool into Galaxy ( This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
<tool id="moldepict" name="MolDepict" version="0.95">
    <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
        <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"/>
        <data name="o" format="pdf"/>
    <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>