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Repository 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.
Type: unrestricted
Revision: 4:791c86130585
This revision can be installed: True
Times cloned / installed: 222

Contents of this repository

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

Computational chemistry - Tools for use in computational chemistry