simonduerr commited on
Commit
73fc10f
1 Parent(s): 3b273aa

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +12 -12
app.py CHANGED
@@ -230,22 +230,22 @@ metal3d = gr.Blocks()
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  with metal3d:
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  gr.Markdown("# Metal3D")
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- gr.Markdown(
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- """
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- Details about implementation and code available here:
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- >Duerr, Levy and Roethlisberger, Predicting zinc ion location using deep learning, BioRxiv, 2022 "
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- """
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- )
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  with gr.Group():
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  inp = gr.Textbox(
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- placeholder="PDB Code or Uniprot identifier", label="Input molecule"
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  )
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- gr.Markdown("or upload a file")
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  file = gr.File(file_count="single", type="file")
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- mode = gr.Radio(
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- ["All metalbinding residues (ASP, CYS, GLU, HIS)", "All residues"],
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- label="Residues to use for prediction",
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- )
 
 
 
 
 
 
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  btn = gr.Button("Run")
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  gr.Markdown("# Output")
 
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  with metal3d:
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  gr.Markdown("# Metal3D")
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+
 
 
 
 
 
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  with gr.Group():
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  inp = gr.Textbox(
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+ placeholder="PDB Code or Uniprot identifier or upload file below", label="Input molecule"
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  )
 
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  file = gr.File(file_count="single", type="file")
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+ with gr.Row():
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+ mode = gr.Radio(
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+ ["All metalbinding residues (ASP, CYS, GLU, HIS)", "All residues"],
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+ label="Residues to use for prediction",
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+ )
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+ custom_resids = gr.Textbox(placeholder="Comma separated list of residues", label="Custom residues")
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+ gr.Markdown(
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+ """ <small>Inference using CPU-only, can be quite slow for more than 20 residues. Use Colab notebook for GPU acceleration</small>
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+ """
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+ )
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  btn = gr.Button("Run")
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  gr.Markdown("# Output")