Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/galaxyconfigs/tools/Predictor.xml @ 10:eda78e0f5df6 draft default tip
Deleted selected files
author | marcel |
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date | Sun, 30 Nov 2014 03:46:08 -0500 |
parents | 488032d372e1 |
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--- a/CADDSuite-1.6/galaxyconfigs/tools/Predictor.xml Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,30 +0,0 @@ - -<!--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.--> -<tool id="predictor" name="Predictor" version="1.6"> - <description>predict activities with QSAR model</description> - <command interpreter="bash"><![CDATA[../../Predictor -#if str( $i ) != '' and str( $i ) != 'None' : - -i "$i" -#end if -#if str( $dat ) != '' and str( $dat ) != 'None' : - -dat "$dat" -#end if -#if str( $o ) != '' and str( $o ) != 'None' : - -o "$o" -#end if - | tail -n 5 -]]></command> - <inputs> - <param name="i" optional="false" label="input mod-file" type="data" format="mod"/> - <param name="dat" optional="false" label="data-file containing prediction data set" type="data" format="dat"/> - </inputs> - <outputs> - <data name="o" format="txt"/> - </outputs> - <help>This tool predictes the response values of compounds in the given data-file using the specified QSAR model. - -Input of this tool is a model-file as generated by ModelCreator or FeatureSelector and a data-file generated by InputReader. - -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. -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> -</tool> \ No newline at end of file