Update bindcraft.py

Author: martinpacesa

bindcraft.py

@@ -160,6 +160,10 @@
                                 trajectory_alpha_interface, trajectory_beta_interface, trajectory_loops_interface, trajectory_alpha, trajectory_beta, trajectory_loops, trajectory_interface_AA, trajectory_target_rmsd, 
                                 trajectory_time_text, traj_seq_notes, settings_file, filters_file, advanced_file]
             insert_data(trajectory_csv, trajectory_data)
+
+            if not trajectory_interface_residues:
+                print("No interface residues found for "+str(design_name)+", skipping MPNN optimization")
+                continue
 
             if advanced_settings["enable_mpnn"]:
                 # initialise MPNN counters
@@ -459,4 +463,4 @@
 ### Script finished
 elapsed_time = time.time() - script_start_time
 elapsed_text = f"{'%d hours, %d minutes, %d seconds' % (int(elapsed_time // 3600), int((elapsed_time % 3600) // 60), int(elapsed_time % 60))}"
-print("Finished all designs. Script execution for "+str(trajectory_n)+" trajectories took: "+elapsed_text)
+print("Finished all designs. Script execution for "+str(trajectory_n)+" trajectories took: "+elapsed_text)