#!/usr/bin/env python
# -*- encoding: utf-8 -*-
'''
@file               :fixsequence.py
@Description:       : fix sequence of pdb file
@Date               :2024/03/07 09:44:06
@Author             :lyzeng
@Email              :pylyzeng@gmail.com
@version            :1.0
'''
from analysis_pdb import PDBAnalyzer
from pathlib import Path
# Specify the path to your PDB file
pdb_files = [
    Path('./pdb_test9/1zgl.pdb'),
    Path('./pdb_test9/1g6r.pdb'),
    Path('./pdb_test9/1mwa.pdb'),
    Path('./pdb_test9/6bga.pdb'),
]
for pdb_file in pdb_files:
    # 修复所有链的编号
    pdb_analyzer_instance = PDBAnalyzer.renumber_residues_based_on_issues_and_clean(pdb_file)
    print(pdb_file.stem, pdb_analyzer_instance.renumber_errors)