Repository revision
repository tip
Select a revision to inspect and download versions of Galaxy utilities from this repository.

Repository sucos_docking_scoring
Name: sucos_docking_scoring
Owner: bgruening
Synopsis: Score docked poses 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: https://toolshed.g2.bx.psu.edu/view/bgruening/sucos_docking_scoring/4f1896782f7c
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/sucos_docking_scoring
Type: unrestricted
Revision: 6:4f1896782f7c
This revision can be installed: True
Times cloned / installed: 901

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
- compare shape and feature overlap of docked ligand poses to a reference molecule 2020.03.4+galaxy1 16.01

Categories
Computational chemistry - Tools for use in computational chemistry