fix_loops

2024-01-12 11:19:56 +08:00
parent 4f3daa855b
commit f7bc06ba67
1 changed files with 0 additions and 9 deletions
--- a/modelbuilder.py
+++ b/modelbuilder.py
@@ -94,15 +94,6 @@ class LoopModelBuilder:
            self.analyzer_instance.split_chain(chain_id).to_pdb(chain_file.as_posix())
            split_dict[chain_id] = chain_file.read_text()
        return split_dict
-    
-    def fix_loops(self, pdb_file: Path):
-        pdb_id = pdb_file.stem
-        analyzer = PDBAnalyzer(pdb_file)
-        missing_info = analyzer.extract_sequences_info()
-        split_dict = self.split_chains(analyzer, pdb_id)
-        mc_dict = self.model_missing_loops(analyzer, pdb_id, missing_info)
-        split_dict.update(mc_dict)
-        self.merge_and_save_pdb(split_dict, pdb_id)

    def merge_and_save_pdb(self, pdb_strings: dict, pdb_id: str):
        merged_file = Path(f"{pdb_id}_merged.pdb")