Update app.py

app.py

@@ -323,7 +323,10 @@ def preprocess_mol(pdb_code="", filepath=""):
         print(os.listdir())
         print(os.system(f"head -n20 {pdb_code}.pdb"))
         mol = Molecule(f"{pdb_code}.pdb")
-    tf_original = tempfile.NamedTemporaryFile(delete=False) 
+
+    print("print molecule loaded")
+    tf_original = tempfile.NamedTemporaryFile(delete=False, suffix=".pdb") 
+    print(tf_original)
     mol.write(tf_original.name)
     # clean messy files and only include protein itself
     mol.filter("protein")
@@ -337,9 +340,10 @@ def preprocess_mol(pdb_code="", filepath=""):
             indexes.append(j)
             j += 1
     df["proteinMPNN_index"] = indexes
-    tf_cleaned = tempfile.NamedTemporaryFile(delete=False) 
-
+    tf_cleaned = tempfile.NamedTemporaryFile(delete=False, suffix=".pdb") 
+    print("cleaned", tf_cleaned)
     mol.write(tf_cleaned.name)
+    print(os.listdir())
     return tf_cleaned.name, df
 
 
@@ -440,6 +444,7 @@ def update(
 
     pdb_path, mol_index = preprocess_mol(pdb_code=inp,filepath=file)
 
+    print("done processing mol")
     if pdb_path == None:
         return "Error processing PDB"