smiles_to_isoconfs.py

This module generates stereoisomers from SMILES string, using RDKit and reasonable 3D structures using OpenBabel.

Parameter / Method	Tool	Description
StereoEnumerationOptions	RDkit	Generate possible stereoisomers for a molecule.
--gen3d	Open Babel	Generate 3D coordinates.
--confab	Open Babel	Generate diverse low-energy conformers.
-m	Open Babel	Convert and store multiple input files.