Mercurial > repos > marcel > caddsuite_linux_x86_64

diff CADDSuite-1.0/galaxyconfigs/tool_conf.xml @ 14:55c32b55c2c2

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:00:43 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0/galaxyconfigs/tool_conf.xml	Thu Jan 12 11:00:43 2012 -0500
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+<?xml version="1.0"?>
+<toolbox>
+  <label text="CADDSuite 1.1" id="cadds" />
+
+  <section name="Get Data" id="getext">
+    <tool file="CADDSuite/galaxyconfigs/tools/upload.xml"/>
+    <tool file="CADDSuite/galaxyconfigs/tools/CombiLibGenerator.xml"/>
+    <tool file="CADDSuite/galaxyconfigs/tools/PDBDownload.xml"/>
+    <tool file="CADDSuite/galaxyconfigs/tools/DBExporter.xml"/>
+  </section>
+
+  <section name="Data preparation" id="dataPrep">
+	<tool file="CADDSuite/galaxyconfigs/tools/PDBCutter.xml" />
+	<tool file="CADDSuite/galaxyconfigs/tools/ProteinProtonator.xml" />
+	<tool file="CADDSuite/galaxyconfigs/tools/Ligand3DGenerator.xml" />
+	<tool file="CADDSuite/galaxyconfigs/tools/LigandFileSplitter.xml" />
+   <tool file="CADDSuite/galaxyconfigs/tools/BindingDBCleaner.xml"/>
+   <tool file="CADDSuite/galaxyconfigs/tools/EvenSplit.xml"/>
+   <tool file="CADDSuite/galaxyconfigs/tools/PropertyModifier.xml"/>
+   <tool file="CADDSuite/galaxyconfigs/tools/MolFilter.xml"/>
+  </section>
+
+  <section name="Checks and evaluations" id="checks">
+	<tool file="CADDSuite/galaxyconfigs/tools/ProteinCheck.xml" />
+	<tool file="CADDSuite/galaxyconfigs/tools/LigCheck.xml" />
+  </section>
+
+  <section name="Docking" id="dockingTools">
+	 <tool file="CADDSuite/galaxyconfigs/tools/WaterFinder.xml" />
+	 <tool file="CADDSuite/galaxyconfigs/tools/SpatialConstraintDefiner.xml" />
+	 <tool file="CADDSuite/galaxyconfigs/tools/InteractionConstraintDefiner.xml" />
+	 <tool file="CADDSuite/galaxyconfigs/tools/ConstraintsFinder.xml"/>
+	 <tool file="CADDSuite/galaxyconfigs/tools/PocketDetector.xml"/>
+    <tool file="CADDSuite/galaxyconfigs/tools/GridBuilder.xml" />
+    <tool file="CADDSuite/galaxyconfigs/tools/IMGDock.xml" />
+  </section>
+
+  <section name="Rescoring" id="rescoringsection">
+	<tool file="CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml"/>
+	<tool file="CADDSuite/galaxyconfigs/tools/TaGRes-train.xml"/>
+	<tool file="CADDSuite/galaxyconfigs/tools/TaGRes.xml"/>
+	<tool file="CADDSuite/galaxyconfigs/tools/AntitargetRescorer.xml" />
+  </section>
+
+	<section name="QuEasy (QSAR)" id="queasy">
+		<tool file="CADDSuite/galaxyconfigs/tools/InputReader.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/ModelCreator.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/FeatureSelector.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/Validator.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/MolPredictor.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/AutoModel.xml" />
+	</section>
+
+	<section name="Analysis" id="analysis">
+		<tool file="CADDSuite/galaxyconfigs/tools/ScoreAnalyzer.xml"/>
+		<tool file="CADDSuite/galaxyconfigs/tools/SimilarityAnalyzer.xml"/>
+		<tool file="CADDSuite/galaxyconfigs/tools/PropertyPlotter.xml"/>
+		<tool file="CADDSuite/galaxyconfigs/tools/RMSDCalculator.xml"/>
+	</section>
+
+	<section name="Convert, combine and store" id="storeData">
+		<tool file="CADDSuite/galaxyconfigs/tools/Converter.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/MolCombine.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/DockResultMerger.xml"/>
+		<tool file="CADDSuite/galaxyconfigs/tools/Filter.xml"/>
+		<tool file="CADDSuite/galaxyconfigs/tools/MolDepict.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/DBImporter.xml" />
+		<tool file="CADDSuite/galaxyconfigs/tools/VendorFinder.xml" />
+	</section>
+
+</toolbox>
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