diff CADDSuite/galaxyconfigs/tools/MolPredictor.xml @ 4:af446ca2d5c6

Uploaded
author marcel
date Fri, 02 Sep 2011 08:54:17 -0400
parents bb26168c5715
children
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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"/>