Mercurial > repos > marcel > caddsuite_mac10_6
view CADDSuite-1.6/galaxyconfigs/tools/LigandFileSplitter.xml @ 9:488032d372e1 draft
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author | marcel |
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date | Sat, 15 Dec 2012 13:16:40 -0500 |
parents | dbb480e39d95 |
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<!--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="1.6"> <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>