Update

.ipynb_checkpoints/app-checkpoint.py

@@ -92,10 +92,10 @@ def process_pdb(pdb_id, segment):
     scores = expit(outputs[:, 1] - outputs[:, 0])
     normalized_scores = normalize_scores(scores)
 
-    result_str = "\n".join(
-        f"{aa_dict[res.get_resname()]} {res.id[1]} {score:.2f}" 
-        for res, score in zip(sequence, normalized_scores)
-    )
+    result_str = "\n".join([
+        f"{res.get_resname()} {res.id[1]} {sequence[i]} {normalized_scores[i]:.2f}" 
+        for i, res in enumerate(chain) if res.get_resname().strip() in aa_dict
+    ])
     
     # Save the predictions to a file
     prediction_file = f"{pdb_id}_predictions.txt"

app.py

@@ -92,10 +92,10 @@ def process_pdb(pdb_id, segment):
     scores = expit(outputs[:, 1] - outputs[:, 0])
     normalized_scores = normalize_scores(scores)
 
-    result_str = "\n".join(
-        f"{aa_dict[res.get_resname()]} {res.id[1]} {score:.2f}" 
-        for res, score in zip(sequence, normalized_scores)
-    )
+    result_str = "\n".join([
+        f"{res.get_resname()} {res.id[1]} {sequence[i]} {normalized_scores[i]:.2f}" 
+        for i, res in enumerate(chain) if res.get_resname().strip() in aa_dict
+    ])
     
     # Save the predictions to a file
     prediction_file = f"{pdb_id}_predictions.txt"