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

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author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents bac3c274238f
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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="predictor" name="Predictor" version="1.1"> 3 <tool id="predictor" name="Predictor" version="0.95">
4 <description>predict activities with QSAR model</description> 4 <description>predict activities with QSAR model</description>
5 <command interpreter="bash"><![CDATA[../../Predictor 5 <command interpreter="bash"><![CDATA[../../Predictor
6 #if str( $i ) != '' and str( $i ) != 'None' : 6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i" 7 -i "$i"
8 #end if 8 #end if
13 -o "$o" 13 -o "$o"
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 mod-file" optional="false" type="data" format="mod"/> 18 <param name="i" optional="false" label="input mod-file" type="data" format="mod"/>
19 <param name="dat" label="data-file containing prediction data set" optional="false" type="data" format="dat"/> 19 <param name="dat" optional="false" label="data-file containing prediction data set" type="data" format="dat"/>
20 </inputs> 20 </inputs>
21 <outputs> 21 <outputs>
22 <data name="o" format="txt"/> 22 <data name="o" format="txt"/>
23 </outputs> 23 </outputs>
24 <help>This tool predictes the response values of compounds in the given data-file using the specified QSAR model. 24 <help>This tool predictes the response values of compounds in the given data-file using the specified QSAR model.