Create app.py

app.py

@@ -0,0 +1,17 @@
+import gradio as gr
+
+def update(name):
+    return f"Welcome to Gradio, {name}!"
+
+demo = gr.Blocks()
+
+with demo:
+    gr.Markdown("# Metal3D")
+    with gr.Row():
+        inp = gr.Textbox(placeholder="2CBA", label="PDB or Uniprot code")
+        file  = gr.File(file_count=1, label="Upload a PDB file")
+        out = gr.Textbox()
+    btn = gr.Button("Run Metal3D")
+    btn.click(fn=update, inputs=inp, outputs=out)
+
+demo.launch()