Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/AntitargetRescorer.xml @ 5:b7a89b15646f
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| author | marcel |
|---|---|
| date | Tue, 12 Jul 2011 10:23:33 -0400 |
| parents | ff6df146c0d5 |
| children |
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| 4:02c8570cde57 | 5:b7a89b15646f |
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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="antitargetrescorer" name="AntitargetRescorer" version="0.94"> | 3 <tool id="antitargetrescorer" name="AntitargetRescorer" version="0.95"> |
| 4 <description>rescore w/ anti-target dock-results</description> | 4 <description>rescore w/ anti-target dock-results</description> |
| 5 <command interpreter="bash"><![CDATA[../../AntitargetRescorer | 5 <command interpreter="bash"><![CDATA[../../AntitargetRescorer |
| 6 #if str( $t ) != '' and str( $t ) != 'None' : | 6 #if str( $t ) != '' and str( $t ) != 'None' : |
| 7 -t "$t" | 7 -t "$t" |
| 8 #end if | 8 #end if |
| 13 -o "$o" | 13 -o "$o" |
| 14 #end if | 14 #end if |
| 15 | tail -n 5 | 15 | tail -n 5 |
| 16 ]]></command> | 16 ]]></command> |
| 17 <inputs> | 17 <inputs> |
| 18 <param name="t" label="input file w/ target dock-results" optional="false" type="data" format="mol2/sdf/drf"/> | 18 <param name="t" optional="false" label="input file w/ target dock-results" type="data" format="mol2/sdf/drf"/> |
| 19 <param name="at" label="input file w/ anti-target dock-results" optional="false" type="data" format="mol2/sdf/drf"/> | 19 <param name="at" optional="false" label="input file w/ anti-target dock-results" type="data" format="mol2/sdf/drf"/> |
| 20 </inputs> | 20 </inputs> |
| 21 <outputs> | 21 <outputs> |
| 22 <data name="o" format="mol2/sdf/drf" format_source="t"/> | 22 <data name="o" format="mol2/sdf/drf" format_source="t"/> |
| 23 </outputs> | 23 </outputs> |
| 24 <help>This tool rescores docking output poses. | 24 <help>This tool rescores docking output poses. |