Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/Predictor.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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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="predictor" name="Predictor" version="0.95"> | |
4 <description>predict activities with QSAR model</description> | |
5 <command interpreter="bash"><![CDATA[../../Predictor | |
6 #if str( $i ) != '' and str( $i ) != 'None' : | |
7 -i "$i" | |
8 #end if | |
9 #if str( $dat ) != '' and str( $dat ) != 'None' : | |
10 -dat "$dat" | |
11 #end if | |
12 #if str( $o ) != '' and str( $o ) != 'None' : | |
13 -o "$o" | |
14 #end if | |
15 | tail -n 5 | |
16 ]]></command> | |
17 <inputs> | |
18 <param name="i" optional="false" label="input mod-file" type="data" format="mod"/> | |
19 <param name="dat" optional="false" label="data-file containing prediction data set" type="data" format="dat"/> | |
20 </inputs> | |
21 <outputs> | |
22 <data name="o" format="txt"/> | |
23 </outputs> | |
24 <help>This tool predictes the response values of compounds in the given data-file using the specified QSAR model. | |
25 | |
26 Input of this tool is a model-file as generated by ModelCreator or FeatureSelector and a data-file generated by InputReader. | |
27 | |
28 Output of this tool (as specified by '-o') is a text file containing the predicted and, if any, the expected response values in one column each. | |
29 If you would prefer to use molecule files (sdf,mol2,drf) for input and output, please use the tool MolPredictor instead of this one.</help> | |
30 </tool> |