Spaces:
Sleeping
Sleeping
Witold Wydmański
commited on
Commit
•
4c6688c
1
Parent(s):
242f3e4
feat: add 3d molecule structure
Browse files
app.py
CHANGED
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@@ -51,9 +51,61 @@ def suggest(option):
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suggestion = ""
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return suggestion
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sample_code = """
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from gradio_client import Client
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import json
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client = Client("https://wwydmanski-esmfold.hf.space/")
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@@ -93,12 +145,17 @@ with gr.Blocks() as demo:
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gr.Markdown("## Sample code")
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gr.Code(sample_code, label="Sample usage", language="python", interactive=False)
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with gr.Row():
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with gr.Column():
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gr.Markdown("## Output")
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out = gr.Code(label="Output", interactive=False)
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name.change(fn=suggest, inputs=name, outputs=inp)
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btn.click(fold_prot_locally, inputs=[inp], outputs=[out])
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demo.launch()
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suggestion = ""
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return suggestion
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+
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def molecule(mol):
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print(mol)
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x = (
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"""<!DOCTYPE html>
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<html>
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<head>
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<meta http-equiv="content-type" content="text/html; charset=UTF-8" />
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<style>
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body{
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font-family:sans-serif
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}
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.mol-container {
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width: 100%;
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height: 600px;
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position: relative;
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}
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.mol-container select{
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background-image:None;
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}
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</style>
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<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.6.3/jquery.min.js" integrity="sha512-STof4xm1wgkfm7heWqFJVn58Hm3EtS31XFaagaa8VMReCXAkQnJZ+jEy8PCC/iT18dFy95WcExNHFTqLyp72eQ==" crossorigin="anonymous" referrerpolicy="no-referrer"></script>
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<script src="https://3Dmol.csb.pitt.edu/build/3Dmol-min.js"></script>
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</head>
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<body>
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<div id="container" class="mol-container"></div>
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<script>
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let pdb = `"""
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+ mol
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+ """`
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$(document).ready(function () {
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let element = $("#container");
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let config = { backgroundColor: "white" };
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let viewer = $3Dmol.createViewer(element, config);
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viewer.addModel(pdb, "pdb");
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viewer.getModel(0).setStyle({}, { cartoon: { colorscheme:"whiteCarbon" } });
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viewer.zoomTo();
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viewer.render();
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viewer.zoom(0.8, 2000);
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})
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</script>
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</body></html>"""
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)
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return f"""<iframe style="width: 100%; height: 600px" 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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sample_code = """
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from gradio_client import Client
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client = Client("https://wwydmanski-esmfold.hf.space/")
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gr.Markdown("## Sample code")
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gr.Code(sample_code, label="Sample usage", language="python", interactive=False)
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with gr.Row():
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gr.Markdown("## Output")
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with gr.Row():
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with gr.Column():
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out = gr.Code(label="Output", interactive=False)
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with gr.Column():
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out_mol = gr.HTML(label="3D Structure")
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name.change(fn=suggest, inputs=name, outputs=inp)
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btn.click(fold_prot_locally, inputs=[inp], outputs=[out])
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out.change(fn=molecule, inputs=[out], outputs=[out_mol])
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demo.launch()
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