Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate CADDSuite/galaxyconfigs/tool_conf.xml @ 5:b7a89b15646f

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents 02c8570cde57
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
3
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
1 <?xml version="1.0"?>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
2 <toolbox>
5
b7a89b15646f Uploaded
marcel
parents: 4
diff changeset
3 <label text="CADDSuite 0.95" id="cadds" />
3
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
4
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
5 <section name="Get Data" id="getext">
5
b7a89b15646f Uploaded
marcel
parents: 4
diff changeset
6 <tool file="CADDSuite/galaxyconfigs/tools/upload.xml"/>
3
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
7 <tool file="CADDSuite/galaxyconfigs/tools/CombiLibGenerator.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
8 <tool file="CADDSuite/galaxyconfigs/tools/PDBDownload.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
9 <tool file="CADDSuite/galaxyconfigs/tools/DBExporter.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
10 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
11
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
12 <section name="Data preparation" id="dataPrep">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
13 <tool file="CADDSuite/galaxyconfigs/tools/PDBCutter.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
14 <tool file="CADDSuite/galaxyconfigs/tools/ProteinProtonator.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
15 <tool file="CADDSuite/galaxyconfigs/tools/Ligand3DGenerator.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
16 <tool file="CADDSuite/galaxyconfigs/tools/LigandFileSplitter.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
17 <tool file="CADDSuite/galaxyconfigs/tools/BindingDBCleaner.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
18 <tool file="CADDSuite/galaxyconfigs/tools/EvenSplit.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
19 <tool file="CADDSuite/galaxyconfigs/tools/PropertyModifier.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
20 <tool file="CADDSuite/galaxyconfigs/tools/MolFilter.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
21 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
22
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
23 <section name="Checks and evaluations" id="checks">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
24 <tool file="CADDSuite/galaxyconfigs/tools/ProteinCheck.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
25 <tool file="CADDSuite/galaxyconfigs/tools/LigCheck.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
26 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
27
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
28 <section name="Docking" id="dockingTools">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
29 <tool file="CADDSuite/galaxyconfigs/tools/WaterFinder.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
30 <tool file="CADDSuite/galaxyconfigs/tools/SpatialConstraintDefiner.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
31 <tool file="CADDSuite/galaxyconfigs/tools/InteractionConstraintDefiner.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
32 <tool file="CADDSuite/galaxyconfigs/tools/ConstraintsFinder.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
33 <tool file="CADDSuite/galaxyconfigs/tools/PocketDetector.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
34 <tool file="CADDSuite/galaxyconfigs/tools/GridBuilder.xml" />
4
02c8570cde57 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
parents: 3
diff changeset
35 <tool file="CADDSuite/galaxyconfigs/tools/IMGDock.xml" />
3
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
36 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
37
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
38 <section name="Rescoring" id="rescoringsection">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
39 <tool file="CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
40 <tool file="CADDSuite/galaxyconfigs/tools/TaGRes-train.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
41 <tool file="CADDSuite/galaxyconfigs/tools/TaGRes.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
42 <tool file="CADDSuite/galaxyconfigs/tools/AntitargetRescorer.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
43 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
44
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
45 <section name="QuEasy (QSAR)" id="queasy">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
46 <tool file="CADDSuite/galaxyconfigs/tools/InputReader.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
47 <tool file="CADDSuite/galaxyconfigs/tools/ModelCreator.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
48 <tool file="CADDSuite/galaxyconfigs/tools/FeatureSelector.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
49 <tool file="CADDSuite/galaxyconfigs/tools/Validator.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
50 <tool file="CADDSuite/galaxyconfigs/tools/MolPredictor.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
51 <tool file="CADDSuite/galaxyconfigs/tools/AutoModel.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
52 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
53
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
54 <section name="Analysis" id="analysis">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
55 <tool file="CADDSuite/galaxyconfigs/tools/ScoreAnalyzer.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
56 <tool file="CADDSuite/galaxyconfigs/tools/SimilarityAnalyzer.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
57 <tool file="CADDSuite/galaxyconfigs/tools/PropertyPlotter.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
58 <tool file="CADDSuite/galaxyconfigs/tools/RMSDCalculator.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
59 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
60
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
61 <section name="Convert, combine and store" id="storeData">
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
62 <tool file="CADDSuite/galaxyconfigs/tools/Converter.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
63 <tool file="CADDSuite/galaxyconfigs/tools/MolCombine.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
64 <tool file="CADDSuite/galaxyconfigs/tools/DockResultMerger.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
65 <tool file="CADDSuite/galaxyconfigs/tools/Filter.xml"/>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
66 <tool file="CADDSuite/galaxyconfigs/tools/MolDepict.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
67 <tool file="CADDSuite/galaxyconfigs/tools/DBImporter.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
68 <tool file="CADDSuite/galaxyconfigs/tools/VendorFinder.xml" />
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
69 </section>
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
70
ff6df146c0d5 Uploaded
marcel
parents:
diff changeset
71 </toolbox>