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These instructions will get you a copy of the project up and running on your local machine for development and testing purposes. See deployment for notes on how to deploy the project on a live system.
| import py3Dmol | |
| from rdkit import Chem | |
| def draw_mol_with_highlights(mol, hit_ats, style=None): | |
| """Draw molecule in 3D with highlighted atoms. | |
| Parameters | |
| ---------- | |
| mol : RDKit molecule | |
| hit_ats : tuple of tuples |
| import sys | |
| import os | |
| import requests | |
| import subprocess | |
| import shutil | |
| from logging import getLogger, StreamHandler, INFO | |
| logger = getLogger(__name__) | |
| logger.addHandler(StreamHandler()) |