jfaustin commited on
Commit
2c8b144
·
1 Parent(s): b8175a8

remove useful buttons

Browse files
Files changed (2) hide show
  1. app.py +1 -2
  2. molecule.py +3 -17
app.py CHANGED
@@ -133,8 +133,7 @@ with demo:
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  gr.Markdown("# Output")
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  with gr.Row():
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  predict_btn = gr.Button("Predict")
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- with gr.Column():
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- mol_output = gr.HTML()
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139
  predict_btn.click(
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  fn=predict,
 
133
  gr.Markdown("# Output")
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  with gr.Row():
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  predict_btn = gr.Button("Predict")
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+ mol_output = gr.HTML()
 
137
 
138
  predict_btn.click(
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  fn=predict,
molecule.py CHANGED
@@ -118,26 +118,17 @@ def molecule(
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  <span class="ml-3 text-sm font-medium text-gray-900 dark:text-gray-300">Show side chains</span>
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  </label>
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  </div>
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- <div class="px-4 pt-2">
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- <label for="startstructure" class="relative inline-flex items-center mb-4 cursor-pointer ">
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- <input id="startstructure" type="checkbox" class="sr-only peer" checked>
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- <div class="w-11 h-6 bg-gray-200 rounded-full peer peer-focus:ring-4 peer-focus:ring-blue-300 dark:peer-focus:ring-blue-800 dark:bg-gray-700 peer-checked:after:translate-x-full peer-checked:after:border-white after:absolute after:top-0.5 after:left-[2px] after:bg-white after:border-gray-300 after:border after:rounded-full after:h-5 after:w-5 after:transition-all dark:border-gray-600 peer-checked:bg-blue-600"></div>
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- <span class="ml-3 text-sm font-medium text-gray-900 dark:text-gray-300">Show input structure</span>
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- </label>
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- </div>
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  <button type="button" class="text-gray-900 bg-white hover:bg-gray-100 border border-gray-200 focus:ring-4 focus:outline-none focus:ring-gray-100 font-medium rounded-lg text-sm px-5 py-2.5 text-center inline-flex items-center dark:focus:ring-gray-600 dark:bg-gray-800 dark:border-gray-700 dark:text-white dark:hover:bg-gray-700 mr-2 mb-2" id="download">
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  <svg class="w-6 h-6 mr-2 -ml-1" fill="none" stroke="currentColor" viewBox="0 0 24 24" xmlns="http://www.w3.org/2000/svg"><path stroke-linecap="round" stroke-linejoin="round" stroke-width="2" d="M4 16v1a3 3 0 003 3h10a3 3 0 003-3v-1m-4-4l-4 4m0 0l-4-4m4 4V4"></path></svg>
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  Download predicted structure
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  </button>
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  </div>
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  <div class="text-sm">
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- <div> RMSD AlphaFold vs. native: <span id="rmsd"></span> Å computed using CEAlign on the aligned fragment</div>
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- </div>
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  <div class="text-sm flex items-start">
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  <div class="w-1/2">
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- <div class="font-medium mt-4 flex items-center space-x-2"><b>AF2 model of redesigned sequence</b></div>
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- <div>AlphaFold model confidence:</div>
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  <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color: rgb(0, 83, 214);">&nbsp;</span><span class="legendlabel">Very high
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  (pLDDT &gt; 90)</span></div>
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  <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color: rgb(101, 203, 243);">&nbsp;</span><span class="legendlabel">Confident
@@ -146,15 +137,10 @@ def molecule(
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  pLDDT &gt; 50)</span></div>
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  <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color: rgb(255, 125, 69);">&nbsp;</span><span class="legendlabel">Very low
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  (pLDDT &lt; 50)</span></div>
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- <div class="row column legendDesc"> AlphaFold produces a per-residue confidence
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  score (pLDDT) between 0 and 100. Some regions below 50 pLDDT may be unstructured in isolation.
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  </div>
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  </div>
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- <div class="w-1/2">
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- <div class="font-medium mt-4 flex items-center space-x-2"><b>Input structure </b><span class="w-4 h-4 bg-gray-300 inline-flex" ></span></div>
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-
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- <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color:hotpink" >&nbsp;</span><span class="legendlabel">Fixed positions</span></div>
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- </div>
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  </div>
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  <script>
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  function drawStructures(i, selectedResidues) {
 
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  <span class="ml-3 text-sm font-medium text-gray-900 dark:text-gray-300">Show side chains</span>
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  </label>
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  </div>
 
 
 
 
 
 
 
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  <button type="button" class="text-gray-900 bg-white hover:bg-gray-100 border border-gray-200 focus:ring-4 focus:outline-none focus:ring-gray-100 font-medium rounded-lg text-sm px-5 py-2.5 text-center inline-flex items-center dark:focus:ring-gray-600 dark:bg-gray-800 dark:border-gray-700 dark:text-white dark:hover:bg-gray-700 mr-2 mb-2" id="download">
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  <svg class="w-6 h-6 mr-2 -ml-1" fill="none" stroke="currentColor" viewBox="0 0 24 24" xmlns="http://www.w3.org/2000/svg"><path stroke-linecap="round" stroke-linejoin="round" stroke-width="2" d="M4 16v1a3 3 0 003 3h10a3 3 0 003-3v-1m-4-4l-4 4m0 0l-4-4m4 4V4"></path></svg>
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  Download predicted structure
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  </button>
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  </div>
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  <div class="text-sm">
 
 
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  <div class="text-sm flex items-start">
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  <div class="w-1/2">
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+ <div class="font-medium mt-4 flex items-center space-x-2"><b>Boltz-1 model of redesigned sequence</b></div>
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+ <div>Boltz-1 model confidence:</div>
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  <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color: rgb(0, 83, 214);">&nbsp;</span><span class="legendlabel">Very high
133
  (pLDDT &gt; 90)</span></div>
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  <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color: rgb(101, 203, 243);">&nbsp;</span><span class="legendlabel">Confident
 
137
  pLDDT &gt; 50)</span></div>
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  <div class="flex space-x-2 py-1"><span class="w-4 h-4" style="background-color: rgb(255, 125, 69);">&nbsp;</span><span class="legendlabel">Very low
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  (pLDDT &lt; 50)</span></div>
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+ <div class="row column legendDesc"> Boltz-1 produces a per-residue confidence
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  score (pLDDT) between 0 and 100. Some regions below 50 pLDDT may be unstructured in isolation.
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  </div>
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  </div>
 
 
 
 
 
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  </div>
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  <script>
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  function drawStructures(i, selectedResidues) {