Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite/galaxyconfigs/tools/DockResultMerger.xml @ 1:867bf9f815a0

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author g2cmnty@test-web1.g2.bx.psu.edu
date Sun, 26 Jun 2011 13:45:14 -0400
parents bac3c274238f
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0:bac3c274238f 1:867bf9f815a0
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="0.93"> 3 <tool id="dockresultmerger" name="DockResultMerger" version="0.94">
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 "${s.i.file_name}"
21 -max "$max" 21 -max "$max"
22 #end if 22 #end if
23 #if str( $k ) != '' and str( $k ) != 'None' : 23 #if str( $k ) != '' and str( $k ) != 'None' :
24 -k "$k" 24 -k "$k"
25 #end if 25 #end if
26 #if str( $rm ) != '' and str( $rm ) != 'None' :
27 -rm
28 #end if
26 | tail -n 5 29 | tail -n 5
27 ]]></command> 30 ]]></command>
28 <inputs> 31 <inputs>
29 <repeat name="series_i" title="input files" min="1"> 32 <repeat name="series_i" title="input files" min="1">
30 <param name="i" label="input files" optional="false" type="data" format="mol2/sdf/drf"/> 33 <param name="i" label="input files" optional="false" type="data" format="mol2/sdf/drf"/>
31 </repeat> 34 </repeat>
32 <param name="score" label="score property name" optional="true" area="true" type="text" size="1x15" value="score"/> 35 <param name="score" label="score property name" optional="true" area="true" type="text" size="1x15" value="score"/>
33 <param name="min" label="minimal score value" optional="true" type="text" area="true" size="1x5" value=""/> 36 <param name="min" label="minimal score value" optional="true" type="text" area="true" size="1x5" value=""/>
34 <param name="max" label="maximal score value" optional="true" type="text" area="true" size="1x5" value=""/> 37 <param name="max" label="maximal score value" optional="true" type="text" area="true" size="1x5" value=""/>
35 <param name="k" label="number of output molecules" optional="true" 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=""/>
39 <param name="rm" label="remove input files after merging" optional="true" type="boolean" truevalue="true" falsevalue=""/>
36 </inputs> 40 </inputs>
37 <outputs> 41 <outputs>
38 <data name="o" format="mol2/sdf/drf" format_source="i"/> 42 <data name="o" format="mol2/sdf/drf" format_source="i"/>
39 </outputs> 43 </outputs>
40 <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.