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| import gradio as gr | |
| import os | |
| def load_html(html_file: str): | |
| with open(os.path.join("html", html_file), "r") as f: | |
| return f.read() | |
| def load_protein_from_file(protein_file) -> str: | |
| """ | |
| Parameters | |
| ---------- | |
| protein_file: _TemporaryFileWrapper | |
| GradIO file object | |
| Returns | |
| ------- | |
| str | |
| Protein PDB file content | |
| """ | |
| with open(protein_file.name, "r") as f: | |
| return f.read() | |
| def load_ligand_from_file(ligand_file): | |
| with open(ligand_file.name, "r") as f: | |
| return f.read() | |
| def protein_html_from_file(protein_file): | |
| protein = load_protein_from_file(protein_file) | |
| protein_html = load_html("protein.html") | |
| html = protein_html.replace("%%%PDB%%%", protein) | |
| return f"""<iframe style="width: 100%; height: 600px" name="result" allow="midi; geolocation; microphone; camera; | |
| display-capture; encrypted-media;" sandbox="allow-modals allow-forms | |
| allow-scripts allow-same-origin allow-popups | |
| allow-top-navigation-by-user-activation allow-downloads" allowfullscreen="" | |
| allowpaymentrequest="" frameborder="0" srcdoc='{html}'></iframe>""" | |
| def ligand_html_from_file(ligand_file): | |
| ligand = load_ligand_from_file(ligand_file) | |
| ligand_html = load_html("ligand.html") | |
| html = ligand_html.replace("%%%SDF%%%", ligand) | |
| return f"""<iframe style="width: 100%; height: 600px" name="result" allow="midi; geolocation; microphone; camera; | |
| display-capture; encrypted-media;" sandbox="allow-modals allow-forms | |
| allow-scripts allow-same-origin allow-popups | |
| allow-top-navigation-by-user-activation allow-downloads" allowfullscreen="" | |
| allowpaymentrequest="" frameborder="0" srcdoc='{html}'></iframe>""" | |
| def protein_ligand_html_from_file(protein_file, ligand_file): | |
| protein = load_protein_from_file(protein_file) | |
| ligand = load_ligand_from_file(ligand_file) | |
| protein_ligand_html = load_html("pl.html") | |
| html = protein_ligand_html.replace("%%%PDB%%%", protein) | |
| html = html.replace("%%%SDF%%%", ligand) | |
| return f"""<iframe style="width: 100%; height: 600px" name="result" allow="midi; geolocation; microphone; camera; | |
| display-capture; encrypted-media;" sandbox="allow-modals allow-forms | |
| allow-scripts allow-same-origin allow-popups | |
| allow-top-navigation-by-user-activation allow-downloads" allowfullscreen="" | |
| allowpaymentrequest="" frameborder="0" srcdoc='{html}'></iframe>""" | |
| demo = gr.Blocks() | |
| with demo: | |
| gr.Markdown("# Protein and Ligand") | |
| with gr.Row(): | |
| with gr.Box(): | |
| pfile = gr.File(file_count="single") | |
| pbtn = gr.Button("View") | |
| protein = gr.HTML() | |
| pbtn.click(fn=protein_html_from_file, inputs=[pfile], outputs=protein) | |
| with gr.Box(): | |
| lfile = gr.File(file_count="single") | |
| lbtn = gr.Button("View") | |
| ligand = gr.HTML() | |
| lbtn.click(fn=ligand_html_from_file, inputs=[lfile], outputs=ligand) | |
| with gr.Row(): | |
| gr.Markdown("# Protein-Ligand Complex") | |
| plcomplex = gr.HTML() | |
| # TODO: Automatically display complex when both files are uploaded | |
| plbtn = gr.Button("View") | |
| plbtn.click(fn=protein_ligand_html_from_file, inputs=[pfile, lfile], outputs=plcomplex) | |
| demo.launch() | |