Eli Draizen edraizen

Postdoc @ UCSF. Interested in parasitology, protein structure, evolution.

edraizen / calculate_contacts.py

Created September 2, 2022 21:03

Calculated PDB contacts and outputs a similar form to protein contact atlas

	from pathlib import Path

	import click
	import numpy as np
	import pandas as pd
	from biotite.structure.io.pdb import PDBFile
	from sklearn.metrics import pairwise_distances

	@click.command()
	@click.argument('pdb_file', required=1, type=click.Path(exists=True))