Updated

.ipynb_checkpoints/app-checkpoint.py

@@ -243,7 +243,7 @@ def process_pdb(pdb_id_or_file, segment, score_type='normalized'):
     
     pymol_commands += f"""
     # PyMOL Visualization Commands
-    load {os.path.abspath(pdb_path)}, protein
+    fetch {pdb_id}, protein
     hide everything, all
     show cartoon, chain {segment}
     color white, chain {segment}
@@ -273,7 +273,8 @@ def process_pdb(pdb_id_or_file, segment, score_type='normalized'):
     with open(prediction_file, "w") as f:
         f.write(result_str)
     
-    return pymol_commands, mol_vis, [prediction_file,scored_pdb]
+    return pymol_commands, mol_vis, [prediction_file, scored_pdb],raw_residue_scores,norm_residue_scores
+
 
 def molecule(input_pdb, residue_scores=None, segment='A'):
     # More granular scoring for visualization

app.py

@@ -243,7 +243,7 @@ def process_pdb(pdb_id_or_file, segment, score_type='normalized'):
     
     pymol_commands += f"""
     # PyMOL Visualization Commands
-    load {os.path.abspath(pdb_path)}, protein
+    fetch {pdb_id}, protein
     hide everything, all
     show cartoon, chain {segment}
     color white, chain {segment}
@@ -273,7 +273,8 @@ def process_pdb(pdb_id_or_file, segment, score_type='normalized'):
     with open(prediction_file, "w") as f:
         f.write(result_str)
     
-    return pymol_commands, mol_vis, [prediction_file,scored_pdb]
+    return pymol_commands, mol_vis, [prediction_file, scored_pdb],raw_residue_scores,norm_residue_scores
+
 
 def molecule(input_pdb, residue_scores=None, segment='A'):
     # More granular scoring for visualization