Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/galaxyconfigs/tools/EvenSplit.xml @ 10:eda78e0f5df6 draft default tip
Deleted selected files
author | marcel |
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date | Sun, 30 Nov 2014 03:46:08 -0500 |
parents | 488032d372e1 |
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--- a/CADDSuite-1.6/galaxyconfigs/tools/EvenSplit.xml Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,41 +0,0 @@ - -<!--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="evensplit" name="EvenSplit" version="1.6"> - <description>generate splits w/ equal property range</description> - <command interpreter="bash"><![CDATA[../../EvenSplit -#if str( $i ) != '' and str( $i ) != 'None' : - -i "$i" -#end if -#if str( $o1 ) != '' and str( $o1 ) != 'None' : - -o1 "$o1" -#end if -#if str( $o2 ) != '' and str( $o2 ) != 'None' : - -o2 "$o2" -#end if -#if str( $prop ) != '' and str( $prop ) != 'None' : - -prop "$prop" -#end if -#if str( $n ) != '' and str( $n ) != 'None' : - -n "$n" -#end if -#if str( $k ) != '' and str( $k ) != 'None' : - -k "$k" -#end if -#if str( $offset ) != '' and str( $offset ) != 'None' : - -offset "$offset" -#end if - | tail -n 5 -]]></command> - <inputs> - <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> - <param name="prop" optional="false" label="property name" area="true" type="text" size="1x15" value="binding_free_energy"/> - <param name="n" optional="true" label="Optional: max. number of compounds to use from input file" type="text" area="true" size="1x5" value=""/> - <param name="k" optional="true" label="Optional: extract each k'th compound to 2nd output file" type="text" area="true" size="1x5" value="2"/> - <param name="offset" optional="true" label="Optional: offset; extract each (i+offset)%k == 0 to 2nd output file" type="text" area="true" size="1x5" value="0"/> - </inputs> - <outputs> - <data name="o1" format="mol2/sdf/drf" format_source="i"/> - <data name="o2" format="mol2/sdf/drf" format_source="i"/> - </outputs> - <help>This tool splits a molecule file into two subsets in such a way that each of them convers an equal range of a property. The property with respect to which this is to be done should be specified with '-prop'.</help> -</tool> \ No newline at end of file