add sequence_similarity func
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@@ -13,6 +13,7 @@
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from dataclasses import dataclass, field
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from dataclasses import dataclass, field
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from Bio.PDB import PDBParser
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from Bio.PDB import PDBParser
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from Bio.SeqUtils import seq1
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from Bio.SeqUtils import seq1
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from Bio.Data import IUPACData
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from typing import List, Dict, Tuple, Optional
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from typing import List, Dict, Tuple, Optional
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from functools import reduce, partial
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from functools import reduce, partial
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from Bio.PDB import MMCIFIO, PDBIO, Chain, Structure
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from Bio.PDB import MMCIFIO, PDBIO, Chain, Structure
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@@ -26,6 +27,8 @@ from copy import deepcopy
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from pymol import cmd
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from pymol import cmd
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import pymol
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import pymol
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import os
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import os
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# 使用 BioPython 导入氨基酸缩写
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AMINO_ACIDS = set(IUPACData.protein_letters)
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@dataclass
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@dataclass
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class PDBAnalyzer:
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class PDBAnalyzer:
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@@ -78,7 +81,23 @@ class PDBAnalyzer:
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with open(out_file, "w") as fid:
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with open(out_file, "w") as fid:
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fid.writelines(good)
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fid.writelines(good)
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return Path(out_file)
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return Path(out_file)
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def sequence_similarity(self, seq1: str, seq2: str) -> float:
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"""
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Calculate the similarity between two sequences.
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Args:
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seq1 (str): First sequence.
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seq2 (str): Second sequence.
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Returns:
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float: Similarity score between 0 and 1, where 1 is identical.
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"""
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aligner = PairwiseAligner()
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aligner.mode = 'global'
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score = aligner.score(seq1, seq2)
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max_score = min(len(seq1), len(seq2)) * aligner.match_score
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return score / max_score
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def check_continuity(self, chain, missing_char):
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def check_continuity(self, chain, missing_char):
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"""
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"""
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