Update app.py

app.py

@@ -50,7 +50,7 @@ def update(inp, file, mode, custom_resids, clustering_threshold):
                 filepath = f"files/{pdb_file}.pdb"
             else:
                 return "pdb code must be 4 letters or Uniprot code does not match", ""
-
+    identifier = os.path.basename(filepath)
     if mode == "All residues":
         ids = get_all_protein_resids(filepath)
     elif len(custom_resids)!=0:
@@ -81,22 +81,22 @@ def update(inp, file, mode, custom_resids, clustering_threshold):
         bb,
         probability_values,
         box_N,
-        outname=f"output/metal_{pdb_file}.cube",
+        outname=f"output/metal_{identifier}.cube",
         gridres=gridres,
     )
     message = find_unique_sites(
         probability_values,
         grid,
         writeprobes=True,
-        probefile=f"output/probes_{pdb_file}.pdb",
+        probefile=f"output/probes_{identifier}.pdb",
         threshold=7,
         p=clustering_threshold,
     )
 
     return message, molecule(
         filepath,
-        f"output/probes_{pdb_file}.pdb",
-        f"output/metal_{pdb_file}.cube",
+        f"output/probes_{identifier}.pdb",
+        f"output/metal_{identifier}.cube",
     )