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Alexander Lyzhov alexlyzhov

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PatWalters / split_complex_v2.py

Created October 2, 2018 01:20

An improved script to extract a ligand from a protein-ligand complex and assign bond orders

	#!/usr/bin/env python

	import sys
	from prody import *
	from rdkit import Chem
	from rdkit.Chem import AllChem
	from io import StringIO
	import pypdb