chanage log

modelbuilder.py

@@ -64,9 +64,23 @@ class LoopModelBuilder:
         log_file = self.output_dir / "loop_modeling.log"
         if log_file.exists():
             log_file.unlink()
-        logging.basicConfig(level=logging.INFO, filename=log_file, filemode='a',
-                            format='%(asctime)s - %(levelname)s - %(message)s')
+
+        # 创建 logger 实例
         self.logger = logging.getLogger('LoopModelBuilder')
+        self.logger.setLevel(logging.INFO)
+
+        # 创建 file handler
+        file_handler = logging.FileHandler(log_file, mode='a')
+        file_handler.setFormatter(logging.Formatter('%(asctime)s - %(levelname)s - %(message)s'))
+
+        # 创建 console handler
+        console_handler = logging.StreamHandler()
+        console_handler.setFormatter(logging.Formatter('%(asctime)s - %(levelname)s - %(message)s'))
+
+        # 将 handlers 添加到 logger
+        self.logger.addHandler(file_handler)
+        self.logger.addHandler(console_handler)
+
 
     def initialize_pymol(self):
         self.pymol_instance = pymol.cmd
@@ -75,6 +89,7 @@ class LoopModelBuilder:
     def split_chains(self) -> dict:
         split_dict = {}
         for chain_id in self.analyzer_instance.chain_id_list:
+            self.logger.info(f"Chain {chain_id} info: \n{self.analyzer_instance.extract_sequences(chain_id)}")
             chain_file = self.output_dir.joinpath(f"{self.analyzer_instance.pid}_{chain_id}.pdb")
             self.analyzer_instance.split_chain(chain_id).to_pdb(chain_file.as_posix())
             split_dict[chain_id] = chain_file.read_text()