diff CADDSuite-1.6/galaxyconfigs/tools/ModelCreator.xml @ 18:026f5a483650 draft default tip

Deleted selected files

--- a/CADDSuite-1.6/galaxyconfigs/tools/ModelCreator.xml	Sat Dec 15 13:10:41 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