Update app.py

app.py

@@ -13,18 +13,15 @@ def generate_sequence_from_words(words, length):
     return ''.join(random.choice(amino_acids) for _ in range(length))
 
 def predict_structure(sequence):
-    url = "https://api.colabfold.com/batch"
-    data = {
-        "queries": [["query", sequence]],
-        "num_relax": 0,
-        "use_templates": False,
-        "num_models": 1
-    }
-    response = requests.post(url, json=data)
+    url = "https://api.esmatlas.com/foldSequence/v1/pdb/"
+    headers = {"Content-Type": "application/x-www-form-urlencoded"}
+    data = {"sequence": sequence}
+    
+    response = requests.post(url, headers=headers, data=data, timeout=300)
     if response.status_code == 200:
-        return response.json()
+        return response.text
     else:
-        st.error(f"Error in structure prediction: {response.text}")
+        st.error(f"Error in structure prediction: {response.status_code} - {response.text}")
         return None
 
 def visualize_protein(pdb_string):
@@ -43,7 +40,7 @@ word3 = st.text_input("Word 3")
 
 sequence_length = st.number_input("Enter desired sequence length", 
                                   min_value=50, 
-                                  max_value=200, 
+                                  max_value=400, 
                                   value=100, 
                                   step=10)
 
@@ -56,23 +53,15 @@ if st.button("Generate Sequence and Predict Structure"):
 
         st.header("Protein Structure Prediction")
         with st.spinner("Predicting protein structure... This may take a few minutes."):
-            prediction = predict_structure(sequence)
-            if prediction and 'pdb_string' in prediction[0]:
-                pdb_string = prediction[0]['pdb_string']
+            pdb_string = predict_structure(sequence)
+            if pdb_string:
                 view = visualize_protein(pdb_string)
                 
                 st_py3dmol = py3Dmol.show3d(view, width=800, height=400)
                 st.components.v1.html(st_py3dmol.startjs, height=400)
 
-                # Display confidence scores
-                plddt_scores = prediction[0].get('plddt', [])
-                if plddt_scores:
-                    avg_plddt = sum(plddt_scores) / len(plddt_scores)
-                    st.write(f"Average pLDDT score: {avg_plddt:.2f}")
-                    st.write("pLDDT > 90: Very high confidence")
-                    st.write("90 > pLDDT > 70: Confident")
-                    st.write("70 > pLDDT > 50: Low confidence")
-                    st.write("pLDDT < 50: Very low confidence")
+                st.success("Structure prediction complete!")
+                st.write("Note: This is a computational prediction and may not represent the actual biological structure.")
             else:
                 st.error("Failed to predict structure. Please try again.")
     else: