Mercurial > repos > marcel > caddsuite_linux_x86_64

diff CADDSuite/galaxyconfigs/tool_conf.xml @ 0:bac3c274238f

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 16:43:30 -0400
parents
children 867bf9f815a0
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite/galaxyconfigs/tool_conf.xml	Tue Jun 07 16:43:30 2011 -0400
@@ -0,0 +1,69 @@
+<?xml version="1.0"?>
+<toolbox>
+  <label text="CADDSuite" id="cadds" />
+
+  <section name="Get Data" id="getext">
+    <tool file="data_source/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/ConstraintsFinder.xml"/>
+	 <tool file="CADDSuite/galaxyconfigs/tools/PocketDetector.xml"/>
+    <tool file="CADDSuite/galaxyconfigs/tools/GridBuilder.xml" />
+    <tool file="CADDSuite/galaxyconfigs/tools/IMeedyDock.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>
\ No newline at end of file