Mercurial > repos > luis > ball
diff galaxy_stubs/tool_conf.xml @ 2:605370bc1def draft default tip
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author | luis |
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date | Tue, 12 Jul 2016 12:33:33 -0400 |
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--- /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>