Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/MolCombine.xml @ 8:9ab6da6cd36c
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author | marcel |
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date | Fri, 02 Sep 2011 08:48:21 -0400 |
parents | 5b29b679ee6d |
children |
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--- a/CADDSuite/galaxyconfigs/tools/MolCombine.xml Tue Jul 12 10:29:49 2011 -0400 +++ b/CADDSuite/galaxyconfigs/tools/MolCombine.xml Fri Sep 02 08:48:21 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="molcombine" name="MolCombine" version="0.95"> +<tool id="molcombine" name="MolCombine" version="0.9.6"> <description>combine molecular files</description> <command interpreter="bash"><![CDATA[../../MolCombine #if str( $i1 ) != '' and str( $i1 ) != 'None' : @@ -21,6 +21,9 @@ #if str( $replace_prop ) != '' and str( $replace_prop ) != 'None' : -replace_prop #end if +#if str( $rm ) != '' and str( $rm ) != 'None' : + -rm +#end if | tail -n 5 ]]></command> <inputs> @@ -33,6 +36,7 @@ </param> <param name="ignH" optional="true" label="ignore hydrogens, i.e. match molecules to any protonation state." type="boolean" truevalue="true" falsevalue="" checked="true"/> <param name="replace_prop" optional="true" label="replace properties from file 1 w/ those from file 2" type="boolean" truevalue="true" falsevalue=""/> + <param name="rm" optional="true" label="remove input files when finished" type="boolean" truevalue="true" falsevalue=""/> </inputs> <outputs> <data name="o" format="mol2/sdf/drf" format_source="i1"/>