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

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author luis
date Tue, 12 Jul 2016 12:33:33 -0400
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1:31013b5cd066 2:605370bc1def
1 <?xml version='1.0' encoding='UTF-8'?>
2 <toolbox>
3 <section id="section-id-Scoring" name="Scoring">
4 <tool file="BALL/SLICK.xml"/>
5 </section>
6 <section id="section-id-Checksandevaluations" name="Checks and evaluations">
7 <tool file="BALL/LigCheck.xml"/>
8 <tool file="BALL/ProteinCheck.xml"/>
9 </section>
10 <section id="section-id-Docking" name="Docking">
11 <tool file="BALL/ConstraintsFinder.xml"/>
12 <tool file="BALL/DockPoseClustering.xml"/>
13 <tool file="BALL/ExtractClustersFromWardTree.xml"/>
14 <tool file="BALL/GridBuilder.xml"/>
15 <tool file="BALL/IMGDock.xml"/>
16 <tool file="BALL/InteractionConstraintDefiner.xml"/>
17 <tool file="BALL/PDBRMSDCalculator.xml"/>
18 <tool file="BALL/PocketDetector.xml"/>
19 <tool file="BALL/SideChainGridBuilder.xml"/>
20 <tool file="BALL/SpatialConstraintDefiner.xml"/>
21 <tool file="BALL/WaterFinder.xml"/>
22 </section>
23 <section id="section-id-ForceFields" name="ForceFields">
24 <tool file="BALL/CalculateBindingFreeEnergy.xml"/>
25 <tool file="BALL/CalculateEnergy.xml"/>
26 <tool file="BALL/CalculateSolvationFreeEnergy.xml"/>
27 <tool file="BALL/ResidueChecker.xml"/>
28 </section>
29 <section id="section-id-StructureCreation" name="Structure Creation">
30 <tool file="BALL/CrystalGenerator.xml"/>
31 </section>
32 <section id="section-id-GetData" name="Get Data">
33 <tool file="BALL/CombiLibGenerator.xml"/>
34 <tool file="BALL/ExtractProteinSequence.xml"/>
35 <tool file="BALL/PDBDownload.xml"/>
36 </section>
37 <section id="section-id-Analysis" name="Analysis">
38 <tool file="BALL/PropertyPlotter.xml"/>
39 <tool file="BALL/RMSDCalculator.xml"/>
40 <tool file="BALL/ScoreAnalyzer.xml"/>
41 <tool file="BALL/SimilarityAnalyzer.xml"/>
42 </section>
43 <section id="section-id-Preparation" name="Preparation">
44 <tool file="BALL/AddMissingAtoms.xml"/>
45 <tool file="BALL/BindingDBCleaner.xml"/>
46 <tool file="BALL/BondOrderAssigner.xml"/>
47 <tool file="BALL/EvenSplit.xml"/>
48 <tool file="BALL/ExtractProteinChains.xml"/>
49 <tool file="BALL/Ligand3DGenerator.xml"/>
50 <tool file="BALL/LigandFileSplitter.xml"/>
51 <tool file="BALL/MolFilter.xml"/>
52 <tool file="BALL/PDBCutter.xml"/>
53 <tool file="BALL/PartialChargesCopy.xml"/>
54 <tool file="BALL/PeptideBuilder.xml"/>
55 <tool file="BALL/PropertyModifier.xml"/>
56 <tool file="BALL/ProteinProtonator.xml"/>
57 <tool file="BALL/RemoveWater.xml"/>
58 <tool file="BALL/SeparateMolecules.xml"/>
59 </section>
60 <section id="section-id-Convert,combineandstore" name="Convert, combine and store">
61 <tool file="BALL/Converter.xml"/>
62 <tool file="BALL/DockResultMerger.xml"/>
63 <tool file="BALL/MolCombine.xml"/>
64 <tool file="BALL/MolDepict.xml"/>
65 <tool file="BALL/PoseIndices2PDB.xml"/>
66 <tool file="BALL/Trajectory2RigidTransformation.xml"/>
67 <tool file="BALL/TrajectoryFile2PDBSplitter.xml"/>
68 </section>
69 <section id="section-id-QuEasy(QSAR)" name="QuEasy (QSAR)">
70 <tool file="BALL/AutoModel.xml"/>
71 <tool file="BALL/FeatureSelector.xml"/>
72 <tool file="BALL/InputPartitioner.xml"/>
73 <tool file="BALL/InputReader.xml"/>
74 <tool file="BALL/ModelCreator.xml"/>
75 <tool file="BALL/MolPredictor.xml"/>
76 <tool file="BALL/Predictor.xml"/>
77 <tool file="BALL/Validator.xml"/>
78 </section>
79 <section id="section-id-Chemoinformatics" name="Chemoinformatics">
80 <tool file="BALL/FingerprintSimilarityClustering.xml"/>
81 <tool file="BALL/FingerprintSimilaritySearch.xml"/>
82 </section>
83 <section id="section-id-Rescoring" name="Rescoring">
84 <tool file="BALL/AntitargetRescorer.xml"/>
85 <tool file="BALL/SimpleRescorer.xml"/>
86 <tool file="BALL/TaGRes-train.xml"/>
87 <tool file="BALL/TaGRes.xml"/>
88 </section>
89 </toolbox>