Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite/galaxyconfigs/tools/MolPredictor.xml @ 4:af446ca2d5c6
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author | marcel |
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date | Fri, 02 Sep 2011 08:54:17 -0400 |
parents | bb26168c5715 |
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--- a/CADDSuite/galaxyconfigs/tools/MolPredictor.xml Tue Jul 12 10:53:07 2011 -0400 +++ b/CADDSuite/galaxyconfigs/tools/MolPredictor.xml Fri Sep 02 08:54:17 2011 -0400 @@ -1,6 +1,6 @@ <!--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.--> -<tool id="molpredictor" name="MolPredictor" version="0.95"> +<tool id="molpredictor" name="MolPredictor" version="0.9.6"> <description>predict molecule activities with QSAR model</description> <command interpreter="bash"><![CDATA[../../MolPredictor #if str( $i ) != '' and str( $i ) != 'None' : @@ -27,6 +27,9 @@ #if str( $csv_dl ) != '' and str( $csv_dl ) != 'None' : -csv_dl #end if +#if str( $rm ) != '' and str( $rm ) != 'None' : + -rm +#end if | tail -n 5 ]]></command> <inputs> @@ -37,6 +40,7 @@ <param name="csv_sep" optional="true" label="Optional: separator symbol in csv-file" type="text" area="true" size="1x5" value=""/> <param name="csv_cl" optional="true" label="csv-file has compound (row) labels" type="boolean" truevalue="true" falsevalue=""/> <param name="csv_dl" optional="true" label="csv-file has descriptor (column) labels" type="boolean" truevalue="true" falsevalue=""/> + <param name="rm" optional="true" label="remove input sd-file when finished" type="boolean" truevalue="true" falsevalue=""/> </inputs> <outputs> <data name="o" format="sdf"/>