Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite/galaxyconfigs/tools/InputReader.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="inputreader" name="InputReader" version="1.1"> 3 <tool id="inputreader" name="InputReader" version="0.95">
4 <description>generate QSAR data set</description> 4 <description>generate QSAR data set</description>
5 <command interpreter="bash"><![CDATA[../../InputReader 5 <command interpreter="bash"><![CDATA[../../InputReader
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
37 -csv_dl 37 -csv_dl
38 #end if 38 #end if
39 | tail -n 5 39 | tail -n 5
40 ]]></command> 40 ]]></command>
41 <inputs> 41 <inputs>
42 <param name="i" label="input sd-file" optional="false" type="data" format="sdf"/> 42 <param name="i" optional="false" label="input sd-file" type="data" format="sdf"/>
43 <param name="csv" label="input csv-file w/ additional descriptors" optional="true" type="data" format="csv"/> 43 <param name="csv" optional="true" label="input csv-file w/ additional descriptors" type="data" format="csv"/>
44 <param name="act" label="sd-property containing response values" optional="true" area="true" type="text" size="1x15"/> 44 <param name="act" optional="true" label="Optional: sd-property containing response values" area="true" type="text" size="1x15"/>
45 <param name="csv_nr" label="no. of response variables in csv-file" optional="true" type="text" area="true" size="1x5" value=""/> 45 <param name="csv_nr" optional="true" label="Optional: no. of response variables in csv-file" type="text" area="true" size="1x5" value=""/>
46 <param name="csv_sep" label="separator symbol in csv-file" optional="true" type="text" area="true" size="1x5" value=""/> 46 <param name="csv_sep" optional="true" label="Optional: separator symbol in csv-file" type="text" area="true" size="1x5" value=""/>
47 <param name="sdp" label="use sd-properties as additional descriptors" optional="true" type="boolean" truevalue="true" falsevalue=""/> 47 <param name="sdp" optional="true" label="use sd-properties as additional descriptors" type="boolean" truevalue="true" falsevalue=""/>
48 <param name="no_cd" label="do not center descriptors" optional="true" type="boolean" truevalue="true" falsevalue=""/> 48 <param name="no_cd" optional="true" label="do not center descriptors" type="boolean" truevalue="true" falsevalue=""/>
49 <param name="no_cr" label="do not center response values" optional="true" type="boolean" truevalue="true" falsevalue=""/> 49 <param name="no_cr" optional="true" label="do not center response values" type="boolean" truevalue="true" falsevalue=""/>
50 <param name="csv_cl" label="csv-file has compound (row) labels" optional="true" type="boolean" truevalue="true" falsevalue=""/> 50 <param name="csv_cl" optional="true" label="csv-file has compound (row) labels" type="boolean" truevalue="true" falsevalue=""/>
51 <param name="csv_dl" label="csv-file has descriptor (column) labels" optional="true" type="boolean" truevalue="true" falsevalue=""/> 51 <param name="csv_dl" optional="true" label="csv-file has descriptor (column) labels" type="boolean" truevalue="true" falsevalue=""/>
52 </inputs> 52 </inputs>
53 <outputs> 53 <outputs>
54 <data name="o" format="dat"/> 54 <data name="o" format="dat"/>
55 </outputs> 55 </outputs>
56 <help>This tool reads input from sd-files and generate features for QSAR analysis. 56 <help>This tool reads input from sd-files and generate features for QSAR analysis.