| Given one library, it extends all molecules by similar molecules of an other library and thus fill gaps in an automatic manner. This workflow is part of case study demonstrating the capability of the chemicaltoolbox. For further information please have a look at the chemicaltoolbox: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox
Repository-Maintainer: Björn Grüning Repository-Development: https://github.com/bgruening/galaxytools/tree/master/workflows/chemicaltoolbox |
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/chemicaltoolbox_library_hole_filling_workflow