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+This package is a Galaxy workflow for merging of chemical libraries using the chemicaltoolbox. + +To learn more about the chemicaltoolbox and all the integrated tools, +please have a look at https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox. + + +What it does +============ + +Given one library, it extends all molecules by similar molecules of an other library and thus fill gaps in an automatic manner. + + +Citation +======== + +If you use this workflow directly, or a derivative of it, or the associated +chemicaltoolbox wrappers for Galaxy, in work leading to a scientific publication, +please cite: + +Grüning, B. et al. (2014) +ChemicalToolBoX, a new Galaxy for cheminformatics (Submitted). + + +Availability +============ + +This workflow is available on the main Galaxy Tool Shed: + + http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox_merging_chemical_databases_workflow + +Development is being done on github: + +https://github.com/bgruening/galaxytools/workflows/chemicaltoolbox + + +Dependencies +============ + +These dependencies should be resolved automatically via the Galaxy Tool Shed: + +* http://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox + diff -r 000000000000 -r c326f1405473 repository_dependencies.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/repository_dependencies.xml Wed Oct 29 06:18:31 2014 -0400 @@ -0,0 +1,4 @@ + + + +