Mercurial > repos > marcel > caddsuite_linux_x86_64

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

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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
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children 867bf9f815a0
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-1:000000000000 0:bac3c274238f
1 <?xml version="1.0"?>
2 <toolbox>
3 <label text="CADDSuite" id="cadds" />
4
5 <section name="Get Data" id="getext">
6 <tool file="data_source/upload.xml"/>
7 <tool file="CADDSuite/galaxyconfigs/tools/CombiLibGenerator.xml"/>
8 <tool file="CADDSuite/galaxyconfigs/tools/PDBDownload.xml"/>
9 <tool file="CADDSuite/galaxyconfigs/tools/DBExporter.xml"/>
10 </section>
11
12 <section name="Data preparation" id="dataPrep">
13 <tool file="CADDSuite/galaxyconfigs/tools/PDBCutter.xml" />
14 <tool file="CADDSuite/galaxyconfigs/tools/ProteinProtonator.xml" />
15 <tool file="CADDSuite/galaxyconfigs/tools/Ligand3DGenerator.xml" />
16 <tool file="CADDSuite/galaxyconfigs/tools/LigandFileSplitter.xml" />
17 <tool file="CADDSuite/galaxyconfigs/tools/BindingDBCleaner.xml"/>
18 <tool file="CADDSuite/galaxyconfigs/tools/EvenSplit.xml"/>
19 <tool file="CADDSuite/galaxyconfigs/tools/PropertyModifier.xml"/>
20 <tool file="CADDSuite/galaxyconfigs/tools/MolFilter.xml"/>
21 </section>
22
23 <section name="Checks and evaluations" id="checks">
24 <tool file="CADDSuite/galaxyconfigs/tools/ProteinCheck.xml" />
25 <tool file="CADDSuite/galaxyconfigs/tools/LigCheck.xml" />
26 </section>
27
28 <section name="Docking" id="dockingTools">
29 <tool file="CADDSuite/galaxyconfigs/tools/WaterFinder.xml" />
30 <tool file="CADDSuite/galaxyconfigs/tools/ConstraintsFinder.xml"/>
31 <tool file="CADDSuite/galaxyconfigs/tools/PocketDetector.xml"/>
32 <tool file="CADDSuite/galaxyconfigs/tools/GridBuilder.xml" />
33 <tool file="CADDSuite/galaxyconfigs/tools/IMeedyDock.xml" />
34 </section>
35
36 <section name="Rescoring" id="rescoringsection">
37 <tool file="CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml"/>
38 <tool file="CADDSuite/galaxyconfigs/tools/TaGRes-train.xml"/>
39 <tool file="CADDSuite/galaxyconfigs/tools/TaGRes.xml"/>
40 <tool file="CADDSuite/galaxyconfigs/tools/AntitargetRescorer.xml" />
41 </section>
42
43 <section name="QuEasy (QSAR)" id="queasy">
44 <tool file="CADDSuite/galaxyconfigs/tools/InputReader.xml" />
45 <tool file="CADDSuite/galaxyconfigs/tools/ModelCreator.xml" />
46 <tool file="CADDSuite/galaxyconfigs/tools/FeatureSelector.xml" />
47 <tool file="CADDSuite/galaxyconfigs/tools/Validator.xml" />
48 <tool file="CADDSuite/galaxyconfigs/tools/MolPredictor.xml" />
49 <tool file="CADDSuite/galaxyconfigs/tools/AutoModel.xml" />
50 </section>
51
52 <section name="Analysis" id="analysis">
53 <tool file="CADDSuite/galaxyconfigs/tools/ScoreAnalyzer.xml"/>
54 <tool file="CADDSuite/galaxyconfigs/tools/SimilarityAnalyzer.xml"/>
55 <tool file="CADDSuite/galaxyconfigs/tools/PropertyPlotter.xml"/>
56 <tool file="CADDSuite/galaxyconfigs/tools/RMSDCalculator.xml"/>
57 </section>
58
59 <section name="Convert, combine and store" id="storeData">
60 <tool file="CADDSuite/galaxyconfigs/tools/Converter.xml" />
61 <tool file="CADDSuite/galaxyconfigs/tools/MolCombine.xml" />
62 <tool file="CADDSuite/galaxyconfigs/tools/DockResultMerger.xml"/>
63 <tool file="CADDSuite/galaxyconfigs/tools/Filter.xml"/>
64 <tool file="CADDSuite/galaxyconfigs/tools/MolDepict.xml" />
65 <tool file="CADDSuite/galaxyconfigs/tools/DBImporter.xml" />
66 <tool file="CADDSuite/galaxyconfigs/tools/VendorFinder.xml" />
67 </section>
68
69 </toolbox>