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Repository enumerate_charges
Name: enumerate_charges
Owner: bgruening
Synopsis: Enumerate changes tool from RDKit
RDKit is a collection of cheminformatics and machine-learning software.

Home page: https://github.com/rdkit/rdkit
License: BSD
Content homepage: https://github.com/rdkit/rdkit
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit
Link to this repository: https://toolshed.g2.bx.psu.edu/view/bgruening/enumerate_charges/67ee76f0e497
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/enumerate_charges
Type: unrestricted
Revision: 5:67ee76f0e497
This revision can be installed: True
Times cloned / installed: 1034

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
calculated with Dimorphite DL and RDKit 2020.03.4+galaxy0 16.01

Categories
Computational chemistry - Tools for use in computational chemistry