Update app.py

app.py

@@ -24,6 +24,13 @@ from rmsd_utils import (
     get_base_coords_from_residue
 )
 
+# Import example data loader
+from example_data_loader import (
+    get_example_pdbs,
+    load_example_as_uploaded_file,
+    get_example_info
+)
+
 # Page configuration
 st.set_page_config(
     page_title="RNA Motif Multi-Structure Comparison",
@@ -280,18 +287,66 @@ def main():
     # Sidebar
     st.sidebar.header("⚙️ Configuration")
     
-    # Step 1: File upload
-    st.sidebar.subheader("1️⃣ Upload Structures")
-    uploaded_files = st.sidebar.file_uploader(
-        "Upload RNA Motif PDB files",
-        type=['pdb', 'PDB'],
-        accept_multiple_files=True,
-        key="structures",
-        help="Upload all RNA motif structures to compare"
+    # Step 1: File upload or Example data
+    st.sidebar.subheader("1️⃣ Load Structures")
+    
+    # Add tabs for Upload vs Examples
+    data_source = st.sidebar.radio(
+        "Data Source",
+        ["Upload Files", "Use Examples"],
+        key="data_source",
+        help="Choose to upload your own files or use example data"
     )
     
+    uploaded_files = []
+    
+    if data_source == "Upload Files":
+        uploaded_files_raw = st.sidebar.file_uploader(
+            "Upload RNA Motif PDB files",
+            type=['pdb', 'PDB'],
+            accept_multiple_files=True,
+            key="structures",
+            help="Upload all RNA motif structures to compare"
+        )
+        if uploaded_files_raw:
+            uploaded_files = list(uploaded_files_raw)
+    
+    else:  # Use Examples
+        # Check if data folder exists
+        data_folder = "data"
+        examples = get_example_pdbs(data_folder)
+        
+        if not examples:
+            st.sidebar.warning(f"⚠️ No example files found in '{data_folder}/' folder")
+            st.sidebar.info("💡 Create a 'data/' folder and add .pdb files to use examples")
+        else:
+            st.sidebar.success(f"📁 Found {len(examples)} example files")
+            
+            # Show example info in expander
+            with st.sidebar.expander("📋 View Example Files"):
+                example_info = get_example_info(data_folder)
+                for name, info in sorted(example_info.items()):
+                    if 'error' not in info:
+                        st.caption(f"**{name}**")
+                        st.caption(f"  └ {info['atoms']} atoms")
+            
+            # Multiselect for examples
+            selected_names = st.sidebar.multiselect(
+                "Select example PDB files",
+                options=sorted(examples.keys()),
+                default=sorted(examples.keys())[:3] if len(examples) >= 3 else sorted(examples.keys()),
+                help="Choose one or more example structures"
+            )
+            
+            if selected_names:
+                # Convert example files to uploaded file format
+                for name in selected_names:
+                    uploaded_files.append(load_example_as_uploaded_file(examples[name]))
+                
+                st.sidebar.success(f"✅ Loaded {len(uploaded_files)} example file(s)")
+    
     if not uploaded_files:
-        st.info("👈 Please upload RNA motif PDB files to begin analysis")
+        st.info("👈 Please upload RNA motif PDB files or select examples to begin analysis")
         with st.expander("ℹ️ About this tool"):
             st.markdown("""
             ### Multi-Structure RNA Motif Comparison
@@ -299,7 +354,7 @@ def main():
             This tool compares multiple RNA motif structures simultaneously using window-based alignment.
             
             **Workflow:**
-            1. Upload all PDB structures
+            1. Upload PDB structures or use examples
             2. Structures ranked by length (shortest first)
             3. Select residues for each structure via dropdown
             4. Choose reference structure (default: shortest)
@@ -313,6 +368,12 @@ def main():
             - Interactive 3D visualization with all structures
             - Color-coded structures
             - RMSD-based alignment quality
+            - Example data for testing
+            
+            **Using Examples:**
+            - Create a folder named `data/` in your app directory
+            - Add .pdb files to the data folder
+            - Select "Use Examples" to load them
             """)
         return