fix inference_app.py

inference_app.py

@@ -919,18 +919,18 @@ def predict (input_seq_1, input_msa_1, input_protein_1, input_seq_2,input_msa_2,
     # return an output pdb file with the protein and two chains A and B.  
     # also return a JSON with any metrics you want to report
     metrics = {"mean_plddt": 80, "binding_affinity": 2}
-#     native = './test_out (1).pdb'
-#     decoys = out_pdb
-#     bdq = BiotiteDockQ(
-#     native=native, decoys=decoys,
-#     # These are optional and if not specified will be assigned based on number of atoms (receptor > ligand)
-#     native_receptor_chain=R_chain,
-#     native_ligand_chain=L_chain,
-#     decoy_receptor_chain=R_chain,
-#     decoy_ligand_chain=L_chain,
-# )
-#     dockq = bdq.calculate()
-#     metrics['DockQ'] = dockq
+    native = './test_out (1).pdb'
+    decoys = out_pdb
+    bdq = BiotiteDockQ(
+    native=native, decoys=decoys,
+    # These are optional and if not specified will be assigned based on number of atoms (receptor > ligand)
+    native_receptor_chain=R_chain,
+    native_ligand_chain=L_chain,
+    decoy_receptor_chain=R_chain,
+    decoy_ligand_chain=L_chain,
+)
+    dockq = bdq.calculate()
+    metrics['DockQ'] = dockq
     end_time = time.time()
     run_time = end_time - start_time