Update inference_app.py

inference_app.py

@@ -7,17 +7,33 @@ import gradio as gr
 from gradio_molecule3d import Molecule3D
 
 
+import numpy as np
+from biotite.structure.io.pdb import PDBFile
+
+def set_all_to_zero(input_pdb_file_1, input_pdb_file_2, output_file):
+    structure1 = PDBFile.read(input_pdb_file_1).get_structure()
+    structure2 = PDBFile.read(input_pdb_file_2).get_structure()
+    structure1.coord = np.zeros_like(structure1.coord)
+    structure2.coord = np.zeros_like(structure2.coord)
+    out_structure = structure1 + structure2
+    file = PDBFile()
+    file.set_structure(out_structure)
+    file.write(output_file)
 
 
 def predict (input_seq_1, input_msa_1, input_protein_1, input_seq_2,input_msa_2,  input_protein_2):
     start_time = time.time()
     # Do inference here
+    
     # return an output pdb file with the protein and two chains A and B.  
+    output_file = "test_out.pdb"
+    set_all_to_zero(input_protein_1, input_protein_2, output_file)
     # also return a JSON with any metrics you want to report
-    metrics = {"mean_plddt": 80, "binding_affinity": 2}
+    metrics = {"F_nat": 100}
+    
     end_time = time.time()
     run_time = end_time - start_time
-    return "test_out.pdb",json.dumps(metrics), run_time
+    return output_file, json.dumps(metrics), run_time
 
 with gr.Blocks() as app:
 
@@ -55,7 +71,7 @@ with gr.Blocks() as app:
                 
             ],
         ],
-        [input_seq_1, input_protein_1, input_seq_2,  input_protein_2],
+        [input_seq_1, input_protein_1, input_seq_2, input_protein_2],
     )
     reps =    [
     {