diff galaxy_stubs/tool_conf.xml @ 2:605370bc1def draft default tip

Uploaded

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/galaxy_stubs/tool_conf.xml	Tue Jul 12 12:33:33 2016 -0400
@@ -0,0 +1,89 @@
+<?xml version='1.0' encoding='UTF-8'?>
+<toolbox>
+  <section id="section-id-Scoring" name="Scoring">
+    <tool file="BALL/SLICK.xml"/>
+  </section>
+  <section id="section-id-Checksandevaluations" name="Checks and evaluations">
+    <tool file="BALL/LigCheck.xml"/>
+    <tool file="BALL/ProteinCheck.xml"/>
+  </section>
+  <section id="section-id-Docking" name="Docking">
+    <tool file="BALL/ConstraintsFinder.xml"/>
+    <tool file="BALL/DockPoseClustering.xml"/>
+    <tool file="BALL/ExtractClustersFromWardTree.xml"/>
+    <tool file="BALL/GridBuilder.xml"/>
+    <tool file="BALL/IMGDock.xml"/>
+    <tool file="BALL/InteractionConstraintDefiner.xml"/>
+    <tool file="BALL/PDBRMSDCalculator.xml"/>
+    <tool file="BALL/PocketDetector.xml"/>
+    <tool file="BALL/SideChainGridBuilder.xml"/>
+    <tool file="BALL/SpatialConstraintDefiner.xml"/>
+    <tool file="BALL/WaterFinder.xml"/>
+  </section>
+  <section id="section-id-ForceFields" name="ForceFields">
+    <tool file="BALL/CalculateBindingFreeEnergy.xml"/>
+    <tool file="BALL/CalculateEnergy.xml"/>
+    <tool file="BALL/CalculateSolvationFreeEnergy.xml"/>
+    <tool file="BALL/ResidueChecker.xml"/>
+  </section>
+  <section id="section-id-StructureCreation" name="Structure Creation">
+    <tool file="BALL/CrystalGenerator.xml"/>
+  </section>
+  <section id="section-id-GetData" name="Get Data">
+    <tool file="BALL/CombiLibGenerator.xml"/>
+    <tool file="BALL/ExtractProteinSequence.xml"/>
+    <tool file="BALL/PDBDownload.xml"/>
+  </section>
+  <section id="section-id-Analysis" name="Analysis">
+    <tool file="BALL/PropertyPlotter.xml"/>
+    <tool file="BALL/RMSDCalculator.xml"/>
+    <tool file="BALL/ScoreAnalyzer.xml"/>
+    <tool file="BALL/SimilarityAnalyzer.xml"/>
+  </section>
+  <section id="section-id-Preparation" name="Preparation">
+    <tool file="BALL/AddMissingAtoms.xml"/>
+    <tool file="BALL/BindingDBCleaner.xml"/>
+    <tool file="BALL/BondOrderAssigner.xml"/>
+    <tool file="BALL/EvenSplit.xml"/>
+    <tool file="BALL/ExtractProteinChains.xml"/>
+    <tool file="BALL/Ligand3DGenerator.xml"/>
+    <tool file="BALL/LigandFileSplitter.xml"/>
+    <tool file="BALL/MolFilter.xml"/>
+    <tool file="BALL/PDBCutter.xml"/>
+    <tool file="BALL/PartialChargesCopy.xml"/>
+    <tool file="BALL/PeptideBuilder.xml"/>
+    <tool file="BALL/PropertyModifier.xml"/>
+    <tool file="BALL/ProteinProtonator.xml"/>
+    <tool file="BALL/RemoveWater.xml"/>
+    <tool file="BALL/SeparateMolecules.xml"/>
+  </section>
+  <section id="section-id-Convert,combineandstore" name="Convert, combine and store">
+    <tool file="BALL/Converter.xml"/>
+    <tool file="BALL/DockResultMerger.xml"/>
+    <tool file="BALL/MolCombine.xml"/>
+    <tool file="BALL/MolDepict.xml"/>
+    <tool file="BALL/PoseIndices2PDB.xml"/>
+    <tool file="BALL/Trajectory2RigidTransformation.xml"/>
+    <tool file="BALL/TrajectoryFile2PDBSplitter.xml"/>
+  </section>
+  <section id="section-id-QuEasy(QSAR)" name="QuEasy (QSAR)">
+    <tool file="BALL/AutoModel.xml"/>
+    <tool file="BALL/FeatureSelector.xml"/>
+    <tool file="BALL/InputPartitioner.xml"/>
+    <tool file="BALL/InputReader.xml"/>
+    <tool file="BALL/ModelCreator.xml"/>
+    <tool file="BALL/MolPredictor.xml"/>
+    <tool file="BALL/Predictor.xml"/>
+    <tool file="BALL/Validator.xml"/>
+  </section>
+  <section id="section-id-Chemoinformatics" name="Chemoinformatics">
+    <tool file="BALL/FingerprintSimilarityClustering.xml"/>
+    <tool file="BALL/FingerprintSimilaritySearch.xml"/>
+  </section>
+  <section id="section-id-Rescoring" name="Rescoring">
+    <tool file="BALL/AntitargetRescorer.xml"/>
+    <tool file="BALL/SimpleRescorer.xml"/>
+    <tool file="BALL/TaGRes-train.xml"/>
+    <tool file="BALL/TaGRes.xml"/>
+  </section>
+</toolbox>