Mercurial > repos > bgruening > chemicaltoolbox_merging_chemical_databases_workflow
comparison readme.rst @ 0:e1bc8415f875 draft
Uploaded
| author | bgruening |
|---|---|
| date | Mon, 26 Aug 2013 07:37:31 -0400 |
| parents | |
| children |
comparison
equal
deleted
inserted
replaced
| -1:000000000000 | 0:e1bc8415f875 |
|---|---|
| 1 This package is a Galaxy workflow for merging of chemical libraries using the chemicaltoolbox. | |
| 2 | |
| 3 To learn more about the chemicaltoolbox and all the integrated tools, | |
| 4 please have a look at https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox. | |
| 5 | |
| 6 | |
| 7 Sample Data | |
| 8 =========== | |
| 9 | |
| 10 The workflow will fetch the sample data from online resources, like PubChem, DrugBank. | |
| 11 | |
| 12 | |
| 13 Citation | |
| 14 ======== | |
| 15 | |
| 16 If you use this workflow directly, or a derivative of it, or the associated | |
| 17 chemicaltoolbox wrappers for Galaxy, in work leading to a scientific publication, | |
| 18 please cite: | |
| 19 | |
| 20 Grüning, B. et al. (2013) | |
| 21 ChemicalToolBoX, a new Galaxy for cheminformatics (Submitted). | |
| 22 | |
| 23 | |
| 24 Availability | |
| 25 ============ | |
| 26 | |
| 27 This workflow is available on the main Galaxy Tool Shed: | |
| 28 | |
| 29 http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox_merging_chemical_databases_workflow | |
| 30 | |
| 31 Development is being done on github: | |
| 32 | |
| 33 https://github.com/bgruening/galaxytools/workflows/chemicaltoolbox | |
| 34 | |
| 35 | |
| 36 Dependencies | |
| 37 ============ | |
| 38 | |
| 39 These dependencies should be resolved automatically via the Galaxy Tool Shed: | |
| 40 | |
| 41 * http://toolshed.g2.bx.psu.edu/view/bgruening/unique | |
| 42 * http://toolshed.g2.bx.psu.edu/view/bjoern-gruening/sed_wrapper | |
| 43 * http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox | |
| 44 |