Mercurial > repos > marcel > caddsuite_mac10_6

comparison CADDSuite-1.0.1/galaxyconfigs/tool_conf.xml @ 5:e30a41af9d2b

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author marcel
date Tue, 15 Nov 2011 10:53:16 -0500
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4:af446ca2d5c6 5:e30a41af9d2b
1 <?xml version="1.0"?>
2 <toolbox>
3 <label text="CADDSuite 1.0.1" id="cadds" />
4
5 <section name="Get Data" id="getext">
6 <tool file="CADDSuite/galaxyconfigs/tools/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/SpatialConstraintDefiner.xml" />
31 <tool file="CADDSuite/galaxyconfigs/tools/InteractionConstraintDefiner.xml" />
32 <tool file="CADDSuite/galaxyconfigs/tools/ConstraintsFinder.xml"/>
33 <tool file="CADDSuite/galaxyconfigs/tools/PocketDetector.xml"/>
34 <tool file="CADDSuite/galaxyconfigs/tools/GridBuilder.xml" />
35 <tool file="CADDSuite/galaxyconfigs/tools/IMGDock.xml" />
36 </section>
37
38 <section name="Rescoring" id="rescoringsection">
39 <tool file="CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml"/>
40 <tool file="CADDSuite/galaxyconfigs/tools/TaGRes-train.xml"/>
41 <tool file="CADDSuite/galaxyconfigs/tools/TaGRes.xml"/>
42 <tool file="CADDSuite/galaxyconfigs/tools/AntitargetRescorer.xml" />
43 </section>
44
45 <section name="QuEasy (QSAR)" id="queasy">
46 <tool file="CADDSuite/galaxyconfigs/tools/InputReader.xml" />
47 <tool file="CADDSuite/galaxyconfigs/tools/ModelCreator.xml" />
48 <tool file="CADDSuite/galaxyconfigs/tools/FeatureSelector.xml" />
49 <tool file="CADDSuite/galaxyconfigs/tools/Validator.xml" />
50 <tool file="CADDSuite/galaxyconfigs/tools/MolPredictor.xml" />
51 <tool file="CADDSuite/galaxyconfigs/tools/AutoModel.xml" />
52 </section>
53
54 <section name="Analysis" id="analysis">
55 <tool file="CADDSuite/galaxyconfigs/tools/ScoreAnalyzer.xml"/>
56 <tool file="CADDSuite/galaxyconfigs/tools/SimilarityAnalyzer.xml"/>
57 <tool file="CADDSuite/galaxyconfigs/tools/PropertyPlotter.xml"/>
58 <tool file="CADDSuite/galaxyconfigs/tools/RMSDCalculator.xml"/>
59 </section>
60
61 <section name="Convert, combine and store" id="storeData">
62 <tool file="CADDSuite/galaxyconfigs/tools/Converter.xml" />
63 <tool file="CADDSuite/galaxyconfigs/tools/MolCombine.xml" />
64 <tool file="CADDSuite/galaxyconfigs/tools/DockResultMerger.xml"/>
65 <tool file="CADDSuite/galaxyconfigs/tools/Filter.xml"/>
66 <tool file="CADDSuite/galaxyconfigs/tools/MolDepict.xml" />
67 <tool file="CADDSuite/galaxyconfigs/tools/DBImporter.xml" />
68 <tool file="CADDSuite/galaxyconfigs/tools/VendorFinder.xml" />
69 </section>
70
71 </toolbox>