Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite/galaxyconfigs/tools/MolDepict.xml @ 5:b7a89b15646f

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author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents ff6df146c0d5
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4:02c8570cde57 5:b7a89b15646f
1 1
2 <!--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.--> 2 <!--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.-->
3 <tool id="moldepict" name="MolDepict" version="0.94"> 3 <tool id="moldepict" name="MolDepict" version="0.95">
4 <description>create structure diagrams</description> 4 <description>create structure diagrams</description>
5 <command interpreter="bash"><![CDATA[../../MolDepict 5 <command interpreter="bash"><![CDATA[../../MolDepict
6 #if str( $i ) != '' and str( $i ) != 'None' : 6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i" 7 -i "$i"
8 #end if 8 #end if
13 -max "$max" 13 -max "$max"
14 #end if 14 #end if
15 | tail -n 5 15 | tail -n 5
16 ]]></command> 16 ]]></command>
17 <inputs> 17 <inputs>
18 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/> 18 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
19 <param name="max" label="maximal number of pictures (default=60, 0=unlimited)" optional="true" type="text" area="true" size="1x5" value="60"/> 19 <param name="max" optional="true" label="Optional: maximal number of pictures (default=60, 0=unlimited)" type="text" area="true" size="1x5" value="60"/>
20 </inputs> 20 </inputs>
21 <outputs> 21 <outputs>
22 <data name="o" format="pdf"/> 22 <data name="o" format="pdf"/>
23 </outputs> 23 </outputs>
24 <help>This tool create structure diagrams for small molecules. 24 <help>This tool create structure diagrams for small molecules.