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