Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/MolPredictor.xml @ 5:b7a89b15646f
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author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | bac3c274238f |
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--- a/CADDSuite/galaxyconfigs/tools/MolPredictor.xml Tue Jun 28 10:37:20 2011 -0400 +++ b/CADDSuite/galaxyconfigs/tools/MolPredictor.xml Tue Jul 12 10:23:33 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="1.1"> +<tool id="molpredictor" name="MolPredictor" version="0.95"> <description>predict molecule activities with QSAR model</description> <command interpreter="bash"><![CDATA[../../MolPredictor #if str( $i ) != '' and str( $i ) != 'None' : @@ -30,13 +30,13 @@ | tail -n 5 ]]></command> <inputs> - <param name="i" label="input sd-file" optional="false" type="data" format="sdf"/> - <param name="mod" label="file containing QSAR model" optional="false" type="data" format="mod"/> - <param name="csv" label="input csv-file w/ additional descriptors" optional="true" type="data" format="csv"/> - <param name="csv_nr" label="no. of response variables in csv-file" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="csv_sep" label="separator symbol in csv-file" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="csv_cl" label="csv-file has compound (row) labels" optional="true" type="boolean" truevalue="true" falsevalue=""/> - <param name="csv_dl" label="csv-file has descriptor (column) labels" optional="true" type="boolean" truevalue="true" falsevalue=""/> + <param name="i" optional="false" label="input sd-file" type="data" format="sdf"/> + <param name="mod" optional="false" label="file containing QSAR model" type="data" format="mod"/> + <param name="csv" optional="true" label="input csv-file w/ additional descriptors" type="data" format="csv"/> + <param name="csv_nr" optional="true" label="Optional: no. of response variables in csv-file" type="text" area="true" size="1x5" value=""/> + <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=""/> </inputs> <outputs> <data name="o" format="sdf"/>