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
Score | Score threshold (structures with scores above this score will be discarded) |
ADDITIONAL INFO
More information about SMoG2016 can be found here.