Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/galaxyconfigs/tools/ModelCreator.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/ModelCreator.xml Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,52 +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="modelcreator" name="ModelCreator" version="1.1"> - <description>create a QSAR model</description> - <command interpreter="bash"><![CDATA[../../ModelCreator -#if str( $i ) != '' and str( $i ) != 'None' : - -i "$i" -#end if -#if str( $o ) != '' and str( $o ) != 'None' : - -o "$o" -#end if -#if str( $type ) != '' and str( $type ) != 'None' : - -type "$type" -#end if -#if str( $kernel ) != '' and str( $kernel ) != 'None' : - -kernel "$kernel" -#end if - | tail -n 5 -]]></command> - <inputs> - <param name="i" optional="false" label="input dat-file" type="data" format="dat"/> - <param name="type" optional="false" label="model type" type="select"> - <option value="MLR">MLR</option> - <option value="RR">RR</option> - <option value="PCR">PCR</option> - <option value="PLS">PLS</option> - <option value="OPLS">OPLS</option> - <option value="ALL">ALL</option> - <option value="KNN">KNN</option> - <option value="KPLS">KPLS</option> - <option value="KPCR">KPCR</option> - <option value="GP">GP</option> - <option value="LDA">LDA</option> - <option value="snB">snB</option> - <option value="nB">nB</option> - </param> - <param name="kernel" optional="true" label="kernel type (in case of kernel-model)" type="select"> - <option value="none">none</option> - <option value="polynomial">polynomial</option> - <option value="rbf">rbf</option> - <option value="sigmoidal">sigmoidal</option> - </param> - </inputs> - <outputs> - <data name="o" format="mod"/> - </outputs> - <help>ModelCreator creates a QSAR model using an input data set as generated by InputReader. - -The type of QSAR model to be used can be specified by '-type', the type of kernel-function (if any) can be chosen by '-kernel'. Optimization of model- and kernel-parmeters will be done automatically using cross-validation. - -Output of this tool is a model-file that can be used by other QuEasy tools (e.g. FeatureSelector).</help> -</tool> \ No newline at end of file