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

Repository sucos_max_score
Name: sucos_max_score
Owner: bgruening
Synopsis: Max SuCOS score 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_max_score/9b48456a96fe
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/sucos_max_score
Type: unrestricted
Revision: 7:9b48456a96fe
This revision can be installed: True
Times cloned / installed: 486

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
- determine maximum SuCOS score of ligands against clustered fragment hits 2020.03.4+galaxy0 16.01

Categories
Computational chemistry - Tools for use in computational chemistry