lingyuzeng/analysis_pdb
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update

Browse Source
This commit is contained in:
lingyuzeng
2024-03-07 18:09:29 +08:00
parent 7b1a0cddb3
commit 3b74448f18
1 changed files with 0 additions and 16 deletions
Download Patch File Download Diff File Expand all files Collapse all files

16
analysis_pdb.py
View File

@@ -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):
"""