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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()) |