Morgan Nance mlnance

Computational Protein Designer. Molecular Biophysics PhD from Johns Hopkins University where I worked with Rosetta

mlnance / RDKit_lig_conf_gen.py

Last active January 4, 2023 22:34 — forked from tdudgeon/conf_gen.py

Conformer generation using RDKit

	#!/usr/bin/env python3
	__author__ = "tdudgeon" # externally developed code

	"""
	Source: https://gist.github.com/tdudgeon/b061dc67f9d879905b50118408c30aac
	Notes: Requires `conda activate rdkit` on ranger
	Edits: mlnance
	Date: 1 August 2022
	"""
	################################################################################