Repository rdkit
Name: rdkit
Owner: bgruening
Synopsis: RDKit tools
Various tools that are using the RDKit library.
http://rdkit.org/


Repository-Maintainer: Björn Grüning
Repository-Development: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox
Link to this repository: https://toolshed.g2.bx.psu.edu/view/bgruening/rdkit/6bb56f3a8de0
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/rdkit
Type: unrestricted
Revision: 0:6bb56f3a8de0
This revision can be installed: True
Times cloned / installed: 670
Dependencies of this repository

Repository dependencies - This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format).
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc
Repository package_eigen_3_1 revision baedf7f82cc3 owned by iuc (prior install required)
Repository package_cmake_3_2_3 revision 1aea698a1c63 owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_boost_1_55 revision 9cc5f2bc9a9c owned by iuc (prior install required)
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)
Repository package_bzlib_1_0 revision af4887e1f595 owned by iuc (prior install required)

Tool dependencies - repository tools require handling of these dependencies
Name Version Type
rdkit 2012_12_1 package

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 RDKit 0.1 any

Categories
Computational chemistry - Tools for use in computational chemistry