Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/ScoreAnalyzer.xml @ 5:b7a89b15646f
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author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | ff6df146c0d5 |
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4:02c8570cde57 | 5:b7a89b15646f |
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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="scoreanalyzer" name="ScoreAnalyzer" version="0.94"> | 3 <tool id="scoreanalyzer" name="ScoreAnalyzer" version="0.95"> |
4 <description>generate ROC or enrichment plots</description> | 4 <description>generate ROC or enrichment plots</description> |
5 <command interpreter="bash"><![CDATA[../../ScoreAnalyzer | 5 <command interpreter="bash"><![CDATA[../../ScoreAnalyzer |
6 #if str( $mode ) != '' and str( $mode ) != 'None' : | 6 #if str( $mode ) != '' and str( $mode ) != 'None' : |
7 -mode "$mode" | 7 -mode "$mode" |
8 #end if | 8 #end if |
28 -b | 28 -b |
29 #end if | 29 #end if |
30 | tail -n 5 | 30 | tail -n 5 |
31 ]]></command> | 31 ]]></command> |
32 <inputs> | 32 <inputs> |
33 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/> | 33 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> |
34 <param name="mode" label="'roc', 'top50', 'scatter' or 'enrichment'" optional="false" type="select"> | 34 <param name="mode" optional="false" label="'roc', 'top50', 'scatter' or 'enrichment'" type="select"> |
35 <option value="roc">roc</option> | 35 <option value="roc">roc</option> |
36 <option value="top50">top50</option> | 36 <option value="top50">top50</option> |
37 <option value="scatter">scatter</option> | 37 <option value="scatter">scatter</option> |
38 <option value="enrichment">enrichment</option> | 38 <option value="enrichment">enrichment</option> |
39 </param> | 39 </param> |
40 <param name="title" label="plot title" optional="true" area="true" type="text" size="1x15"/> | 40 <param name="title" optional="true" label="Optional: plot title" area="true" type="text" size="1x15"/> |
41 <param name="s" label="score label" optional="false" area="true" type="text" size="1x15" value="score"/> | 41 <param name="s" optional="false" label="score label" area="true" type="text" size="1x15" value="score"/> |
42 <param name="e" label="binding-free-energy/class label name" optional="false" area="true" type="text" size="1x15" value="binding_free_energy"/> | 42 <param name="e" optional="false" label="binding-free-energy/class label name" area="true" type="text" size="1x15" value="binding_free_energy"/> |
43 <param name="t" label="only in case of non-binary act. data: binding-free-energy threshold; compound with values *below* this threshold will be defined as binder" optional="true" area="true" type="text" size="1x15"/> | 43 <param name="t" optional="true" label="Optional: only in case of non-binary act. data: binding-free-energy threshold; compound with values *below* this threshold will be defined as binder" area="true" type="text" size="1x15"/> |
44 <param name="b" label="binary experimental activity data" optional="true" type="boolean" truevalue="true" falsevalue=""/> | 44 <param name="b" optional="true" label="binary experimental activity data" type="boolean" truevalue="true" falsevalue=""/> |
45 </inputs> | 45 </inputs> |
46 <outputs> | 46 <outputs> |
47 <data name="o" format="png"/> | 47 <data name="o" format="png"/> |
48 </outputs> | 48 </outputs> |
49 <help>This tool can be used generate plots that allow to evaluate the quality of docking or (re-)scoring. | 49 <help>This tool can be used generate plots that allow to evaluate the quality of docking or (re-)scoring. |