update

analysis_pdb.py

@@ -231,22 +231,6 @@ class PDBAnalyzer:
             "estimated_missing": estimated_missing
         })
     
-    # def renumber_residues(self):
-    #     """
-    #     根据收集的残基信息重新编号所有残基。
-    #     """
-    #     for chain_id, res_pairs in self.renumbering_info.items():
-    #         for orig_res_num, new_res_num in res_pairs:
-    #             self.modify_residue_number(chain_id, orig_res_num, new_res_num)
-                
-    # def modify_residue_number(self, chain_id, original_res_num, new_res_num):
-    #     """
-    #     修改指定链上的残基编号。
-    #     """
-    #     mask = (self.biodata.df['ATOM']['chain_id'] == chain_id) & \
-    #         (self.biodata.df['ATOM']['residue_number'] == original_res_num)
-    #     self.biodata.df['ATOM'].loc[mask, 'residue_number'] = new_res_num
-    
     def check_and_log_sequence_issues(self):
         """
         检测并记录每条链的编号问题，并计算相邻残基间的距离。