Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/AutoModel.xml @ 7:5b29b679ee6d
Uploaded Version 0.95
| author | marcel |
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| date | Tue, 12 Jul 2011 10:29:49 -0400 |
| parents | |
| children | 9ab6da6cd36c |
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| 6:061cbb4a9b05 | 7:5b29b679ee6d |
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| 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.--> | |
| 3 <tool id="automodel" name="AutoModel" version="0.95"> | |
| 4 <description>automatically find best QSAR model</description> | |
| 5 <command interpreter="bash"><![CDATA[../../AutoModel | |
| 6 #if str( $i ) != '' and str( $i ) != 'None' : | |
| 7 -i "$i" | |
| 8 #end if | |
| 9 #if str( $o ) != '' and str( $o ) != 'None' : | |
| 10 -o "$o" | |
| 11 #end if | |
| 12 #if str( $min_quality ) != '' and str( $min_quality ) != 'None' : | |
| 13 -min_quality "$min_quality" | |
| 14 #end if | |
| 15 | tail -n 5 | |
| 16 ]]></command> | |
| 17 <inputs> | |
| 18 <param name="i" optional="false" label="input data-file" type="data" format="dat"/> | |
| 19 <param name="min_quality" optional="true" label="Optional: minimal desired quality (default: 0.3)" type="text" min="0.000000" max="1.000000" area="true" size="1x5" value="0.3"/> | |
| 20 </inputs> | |
| 21 <outputs> | |
| 22 <data name="o" format="mod"/> | |
| 23 </outputs> | |
| 24 <help>This tool tries to automatically find the best QSAR model for a given data set. | |
| 25 | |
| 26 It therefore applies nested validation, including feature selection, for each available model-type. The model with the best nested prediction quality is saved to the specified output file. However, if the best obtained nested prediction quality is smaller than the value specified by '-min_quality', an error will be shown and no model will be saved.</help> | |
| 27 </tool> |