Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.5/galaxyconfigs/tools/LigandFileSplitter.xml @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.5/galaxyconfigs/tools/LigandFileSplitter.xml Tue Jul 24 11:08:49 2012 -0400 @@ -0,0 +1,84 @@ + +<!--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="ligandfilesplitter" name="LigandFileSplitter" version="1.5"> + <description>split molecule files</description> + <command interpreter="bash"><![CDATA[../../LigandFileSplitter +#if str( $i ) != '' and str( $i ) != 'None' : + -i "$i" +#end if +#if str( $no ) != '' and str( $no ) != 'None' : + -no "$no" +#end if +#if str( $o ) != '' and str( $o ) != 'None' : + -o "$o" +#end if +#if str( $o2 ) != '' and str( $o2 ) != 'None' : + -o "$o2" +#end if +#if str( $o3 ) != '' and str( $o3 ) != 'None' : + -o "$o3" +#end if +#if str( $o4 ) != '' and str( $o4 ) != 'None' : + -o "$o4" +#end if +#if str( $o5 ) != '' and str( $o5 ) != 'None' : + -o "$o5" +#end if +#if str( $o6 ) != '' and str( $o6 ) != 'None' : + -o "$o6" +#end if +#if str( $o7 ) != '' and str( $o7 ) != 'None' : + -o "$o7" +#end if +#if str( $o8 ) != '' and str( $o8 ) != 'None' : + -o "$o8" +#end if +#if str( $o9 ) != '' and str( $o9 ) != 'None' : + -o "$o9" +#end if +#if str( $o10 ) != '' and str( $o10 ) != 'None' : + -o "$o10" +#end if +#if str( $o11 ) != '' and str( $o11 ) != 'None' : + -o "$o11" +#end if +#if str( $o12 ) != '' and str( $o12 ) != 'None' : + -o "$o12" +#end if +#if str( $o13 ) != '' and str( $o13 ) != 'None' : + -o "$o13" +#end if +#if str( $o14 ) != '' and str( $o14 ) != 'None' : + -o "$o14" +#end if +#if str( $o15 ) != '' and str( $o15 ) != 'None' : + -o "$o15" +#end if + | tail -n 5 +]]></command> + <inputs> + <param name="i" optional="false" label="input molecule file" type="data" format="mol2/sdf/drf"/> + <param name="no" optional="false" label="no. of splits to be created" type="hidden" area="true" size="1x5" value="15"/> + </inputs> + <outputs> + <data name="o" format="mol2/sdf/drf" format_source="i"/> + <data name="o2" format="mol2/sdf/drf" format_source="i"/> + <data name="o3" format="mol2/sdf/drf" format_source="i"/> + <data name="o4" format="mol2/sdf/drf" format_source="i"/> + <data name="o5" format="mol2/sdf/drf" format_source="i"/> + <data name="o6" format="mol2/sdf/drf" format_source="i"/> + <data name="o7" format="mol2/sdf/drf" format_source="i"/> + <data name="o8" format="mol2/sdf/drf" format_source="i"/> + <data name="o9" format="mol2/sdf/drf" format_source="i"/> + <data name="o10" format="mol2/sdf/drf" format_source="i"/> + <data name="o11" format="mol2/sdf/drf" format_source="i"/> + <data name="o12" format="mol2/sdf/drf" format_source="i"/> + <data name="o13" format="mol2/sdf/drf" format_source="i"/> + <data name="o14" format="mol2/sdf/drf" format_source="i"/> + <data name="o15" format="mol2/sdf/drf" format_source="i"/> + </outputs> + <help>LigandFileSplitter splits a molecule file into a given number of subsets. +Note that the molecules are not sorted in any way for this. + +Since Galaxy does not support a flexible number of output-files, we will create 15 output files when you use LigandFileSplitter in Galaxy.</help> +</tool> \ No newline at end of file