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import os |
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import time |
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import py3Dmol |
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import gradio as gr |
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def display_pdb_by_pdb(pdb): |
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view = py3Dmol.view(width=500, height=500) |
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view.addModel(pdb, "pdb") |
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view.setStyle({'cartoon': {'color': 'spectrum'}}) |
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view.zoomTo() |
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output = view._make_html().replace("'", '"') |
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x = f"""<!DOCTYPE html><html></center> {output} </center></html>""" |
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return f"""<iframe height="500px" width="100%" name="result" allow="midi; geolocation; microphone; camera; |
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display-capture; encrypted-media;" sandbox="allow-modals allow-forms |
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allow-scripts allow-same-origin allow-popups |
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allow-top-navigation-by-user-activation allow-downloads" allowfullscreen="" |
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allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>""" |
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def show_gif(): |
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path = 'output' |
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pdb_files = sorted(os.listdir(path), key=lambda x: int(x.split('_')[1])) |
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num = len(pdb_files) |
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i = 0 |
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while True: |
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if i >= num: break |
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time.sleep(0.5) |
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p = os.path.join(path, pdb_files[i]) |
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with open(p,'r') as f: |
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f_pdb = f.readlines() |
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i = (i + 1) % num |
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yield display_pdb_by_pdb(''.join(f_pdb)), pdb_files[i].split('_')[1] |
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if __name__ == "__main__": |
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title = "Artificial Intelligence Generated Protein" |
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css = "footer {visibility: hidden}" |
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with gr.Blocks(title=title, css=css) as demo: |
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output_viewer = gr.HTML() |
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with gr.Row(): |
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gif = gr.HTML() |
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it = gr.Textbox(label="Iteration") |
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btn3 = gr.Button("Generate") |
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btn3.click(show_gif, [], [gif, it]) |
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demo.queue() |
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demo.launch(show_api=False, server_name="0.0.0.0") |
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