view CADDSuite-1.6/galaxyconfigs/tools/LigandFileSplitter.xml @ 8:dbb480e39d95 draft

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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>