Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/EvenSplit.xml @ 1:867bf9f815a0
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| author | g2cmnty@test-web1.g2.bx.psu.edu |
|---|---|
| date | Sun, 26 Jun 2011 13:45:14 -0400 |
| parents | bac3c274238f |
| children |
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| 0:bac3c274238f | 1:867bf9f815a0 |
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| 1 | 1 |
| 2 <!--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.--> | 2 <!--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.--> |
| 3 <tool id="evensplit" name="EvenSplit" version="0.93"> | 3 <tool id="evensplit" name="EvenSplit" version="0.94"> |
| 4 <description>generate splits w/ equal property range</description> | 4 <description>generate splits w/ equal property range</description> |
| 5 <command interpreter="bash"><![CDATA[../../EvenSplit | 5 <command interpreter="bash"><![CDATA[../../EvenSplit |
| 6 #if str( $i ) != '' and str( $i ) != 'None' : | 6 #if str( $i ) != '' and str( $i ) != 'None' : |
| 7 -i "$i" | 7 -i "$i" |
| 8 #end if | 8 #end if |
| 29 <inputs> | 29 <inputs> |
| 30 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/> | 30 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/> |
| 31 <param name="n" label="number of compounds to use from input file" optional="true" type="text" area="true" size="1x5" value=""/> | 31 <param name="n" label="number of compounds to use from input file" optional="true" type="text" area="true" size="1x5" value=""/> |
| 32 <param name="offset" label="extract each (i+offset)%k == 0 for o2" optional="true" type="text" area="true" size="1x5" value="0"/> | 32 <param name="offset" label="extract each (i+offset)%k == 0 for o2" optional="true" type="text" area="true" size="1x5" value="0"/> |
| 33 <param name="k" label="extract each k'th compound for 2nd output file" optional="true" type="text" area="true" size="1x5" value="2"/> | 33 <param name="k" label="extract each k'th compound for 2nd output file" optional="true" type="text" area="true" size="1x5" value="2"/> |
| 34 <param name="prop" label="property name" optional="false" area="true" type="text" size="1x15"/> | 34 <param name="prop" label="property name" optional="false" area="true" type="text" size="1x15" value="binding_free_energy"/> |
| 35 </inputs> | 35 </inputs> |
| 36 <outputs> | 36 <outputs> |
| 37 <data name="o1" format="mol2/sdf/drf" format_source="i"/> | 37 <data name="o1" format="mol2/sdf/drf" format_source="i"/> |
| 38 <data name="o2" format="mol2/sdf/drf" format_source="i"/> | 38 <data name="o2" format="mol2/sdf/drf" format_source="i"/> |
| 39 </outputs> | 39 </outputs> |