Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite/galaxyconfigs/tools/DockResultMerger.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="dockresultmerger" name="DockResultMerger" version="0.94"> 3 <tool id="dockresultmerger" name="DockResultMerger" version="0.95">
4 <description>merge docking output files</description> 4 <description>merge docking output files</description>
5 <command interpreter="bash"><![CDATA[../../DockResultMerger 5 <command interpreter="bash"><![CDATA[../../DockResultMerger
6 #for $s in $series_i 6 #for $s in $series_i
7 #if str( "${s.i.file_name}" ) != '' and str( "${s.i.file_name}" ) != 'None' : 7 #if str( "${s.i.file_name}" ) != '' and str( "${s.i.file_name}" ) != 'None' :
8 -i "${s.i.file_name}" 8 -i "${s.i.file_name}"
28 #end if 28 #end if
29 | tail -n 5 29 | tail -n 5
30 ]]></command> 30 ]]></command>
31 <inputs> 31 <inputs>
32 <repeat name="series_i" title="input files" min="1"> 32 <repeat name="series_i" title="input files" min="1">
33 <param name="i" label="input files" optional="false" type="data" format="mol2/sdf/drf"/> 33 <param name="i" optional="false" label="input files" type="data" format="mol2/sdf/drf"/>
34 </repeat> 34 </repeat>
35 <param name="score" label="score property name" optional="true" area="true" type="text" size="1x15" value="score"/> 35 <param name="score" optional="true" label="Optional: score property name" area="true" type="text" size="1x15" value="score"/>
36 <param name="min" label="minimal score value" optional="true" type="text" area="true" size="1x5" value=""/> 36 <param name="min" optional="true" label="Optional: minimal score value" type="text" area="true" size="1x5" value=""/>
37 <param name="max" label="maximal score value" optional="true" type="text" area="true" size="1x5" value=""/> 37 <param name="max" optional="true" label="Optional: maximal score value" type="text" area="true" size="1x5" value=""/>
38 <param name="k" label="number of output molecules" optional="true" type="text" area="true" size="1x5" value=""/> 38 <param name="k" optional="true" label="Optional: number of output molecules" type="text" area="true" size="1x5" value=""/>
39 <param name="rm" label="remove input files after merging" optional="true" type="boolean" truevalue="true" falsevalue=""/> 39 <param name="rm" optional="true" label="remove input files after merging" type="boolean" truevalue="true" falsevalue=""/>
40 </inputs> 40 </inputs>
41 <outputs> 41 <outputs>
42 <data name="o" format="mol2/sdf/drf" format_source="i"/> 42 <data name="o" format="mol2/sdf/drf" format_source="i"/>
43 </outputs> 43 </outputs>
44 <help>This tool merges and sorts molecule files as generated by docking or rescoring. 44 <help>This tool merges and sorts molecule files as generated by docking or rescoring.