#!/usr/bin/env python3
# -*- coding: utf-8 -*-

"""
Written by Gábor Erdős, 2017
Contact info: gerdos[at]caesar.elte.hu

The preferences were calculated from the following artice:
Lovell et al. Structure validation by Calpha geometry: phi,psi and Cbeta deviation. 2003
DOI: 10.1002/prot.10286
"""

import sys
from pyrama import calc_ramachandran, plot_ramachandran
if len(sys.argv) < 2:
    sys.exit("Usage: pyrama my_pdb_file.pdb")

normals, outliers = calc_ramachandran(sys.argv[1:])
plot_ramachandran(normals, outliers)

