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Repository sucos_clustering
Name: sucos_clustering
Owner: bgruening
Synopsis: Cluster ligands using SuCOS tool from the SuCOS
SuCOS is an RDKit-based overlap measure that combines volumetric shape and pharmacophoric features
to give a combined overlap score similar to OpenEye's Tversky Combo and Malhotra and Karanicolas' COS measure.
Content homepage: https://github.com/susanhleung/SuCOS
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos
Link to this repository revision: https://toolshed.g2.bx.psu.edu/view/bgruening/sucos_clustering/791c86130585
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/sucos_clustering
Type: unrestricted
Revision: 4:791c86130585
This revision can be installed: True
Times cloned / installed: 309

Contents of this repository

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Name Description Version Minimum Galaxy Version
based on the overlap of 3D features 0.1.1 16.01

Categories
Computational chemistry - Tools for use in computational chemistry