SMoG2016

CATEGORY

3D

SOURCE

Academic Open Source

DESCRIPTION

Scores docked structures using the SMoG 2016 scoring algorithm.

INPUTS

Input: Dataset of Molecules that are to be scored Protein: the protein 3D structure in PDB format

OUTPUTS

A Dataset of Molecules with SMoG scores added.

OPTIONS

ScoreScore threshold (structures with scores above this score will be discarded)

ADDITIONAL INFO

More information about SMoG2016 can be found here.