annotate readme.rst @ 3:3376374ca458 draft

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author bgruening
date Mon, 07 Oct 2013 12:24:53 -0400
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1 This package is a Galaxy workflow for merging of chemical libraries using the chemicaltoolbox.
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3 To learn more about the chemicaltoolbox and all the integrated tools,
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4 please have a look at https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox.
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7 Sample Data
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8 ===========
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10 The workflow will fetch the sample data from online resources, like PubChem, DrugBank.
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13 Citation
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14 ========
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16 If you use this workflow directly, or a derivative of it, or the associated
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17 chemicaltoolbox wrappers for Galaxy, in work leading to a scientific publication,
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18 please cite:
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20 GrĂ¼ning, B. et al. (2013)
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21 ChemicalToolBoX, a new Galaxy for cheminformatics (Submitted).
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24 Availability
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25 ============
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27 This workflow is available on the main Galaxy Tool Shed:
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29 http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox_merging_chemical_databases_workflow
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31 Development is being done on github:
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33 https://github.com/bgruening/galaxytools/workflows/chemicaltoolbox
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36 Dependencies
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37 ============
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39 These dependencies should be resolved automatically via the Galaxy Tool Shed:
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41 * http://toolshed.g2.bx.psu.edu/view/bgruening/unique
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42 * http://toolshed.g2.bx.psu.edu/view/bjoern-gruening/sed_wrapper
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43 * http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox
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