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| #!/usr/bin/env python | |
| import sys | |
| from rdkit import Chem | |
| from rdkit.Chem.rdmolops import Get3DDistanceMatrix | |
| import numpy as np | |
| from rdkit.Chem import AllChem | |
| # An RDKit implementation of Smallest Maximum Intramolecular Distance | |
| # https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00692 |
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| import networkx as nx | |
| import matplotlib.pyplot as plt | |
| import matplotlib.image as mpimg | |
| import glob | |
| from numpy import sqrt | |
| import glob | |
| path = '' | |
| files = [f for f in glob.glob(path + "*.jpg")] | |
| img = [] |