diff --git a/analysis_pdb.py b/analysis_pdb.py index a271486..a431666 100755 --- a/analysis_pdb.py +++ b/analysis_pdb.py @@ -230,22 +230,6 @@ class PDBAnalyzer: "end_residue": end_residue, "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): """