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