annotate readme.rst @ 0:e1bc8415f875 draft

Uploaded
author bgruening
date Mon, 26 Aug 2013 07:37:31 -0400
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
1 This package is a Galaxy workflow for merging of chemical libraries using the chemicaltoolbox.
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
2
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
3 To learn more about the chemicaltoolbox and all the integrated tools,
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
4 please have a look at https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox.
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
5
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
6
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
7 Sample Data
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
8 ===========
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
9
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
10 The workflow will fetch the sample data from online resources, like PubChem, DrugBank.
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
11
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
12
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
13 Citation
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
14 ========
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
15
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
16 If you use this workflow directly, or a derivative of it, or the associated
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
17 chemicaltoolbox wrappers for Galaxy, in work leading to a scientific publication,
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
18 please cite:
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
19
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
20 GrĂ¼ning, B. et al. (2013)
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
21 ChemicalToolBoX, a new Galaxy for cheminformatics (Submitted).
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
22
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
23
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
24 Availability
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
25 ============
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
26
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
27 This workflow is available on the main Galaxy Tool Shed:
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
28
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
29 http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox_merging_chemical_databases_workflow
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
30
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
31 Development is being done on github:
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
32
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
33 https://github.com/bgruening/galaxytools/workflows/chemicaltoolbox
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
34
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
35
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
36 Dependencies
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
37 ============
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
38
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
39 These dependencies should be resolved automatically via the Galaxy Tool Shed:
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
40
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
41 * http://toolshed.g2.bx.psu.edu/view/bgruening/unique
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
42 * http://toolshed.g2.bx.psu.edu/view/bjoern-gruening/sed_wrapper
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
43 * http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox
e1bc8415f875 Uploaded
bgruening
parents:
diff changeset
44