Update app.py

app.py

@@ -5,6 +5,7 @@ import warnings
 import copy
 import random
 import re
+import datetime
 
 import os.path
 
@@ -331,8 +332,9 @@ def preprocess_mol(pdb_code="", filepath=""):
         mol = Molecule(f"{pdb_code}.pdb")
 
     print("print molecule loaded")
-    random_dir = tempfile.TemporaryDirectory() 
-    mol.write(f"{random_dir.name}/original.pdb")
+    random_dir = f"jobs/{datetime.now().isoformat()}"
+    os.system(f"mkdir -p {random_dir}")
+    mol.write(f"{random_dir}/original.pdb")
     # clean messy files and only include protein itself
     mol.filter("protein")
     # renumber using moleculekit 0...len(protein)
@@ -346,9 +348,9 @@ def preprocess_mol(pdb_code="", filepath=""):
             j += 1
     df["proteinMPNN_index"] = indexes
 
-    mol.write(f"{random_dir.name}/cleaned.pdb")
+    mol.write(f"{random_dir}/cleaned.pdb")
 
-    return f"{random_dir.name}/cleaned.pdb", df, f"{random_dir.name}/original.pdb"
+    return f"{random_dir}/cleaned.pdb", df, f"{random_dir}/original.pdb"
 
 
 def assign_sasa(mol):