TillCyrill
commited on
Commit
•
4d3271b
1
Parent(s):
762b539
visualization
Browse files
main.py
CHANGED
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@@ -187,13 +187,17 @@ def predict(pdb_code, pdb_file, topN):
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topN_ind = np.argsort(adaptability)[::-1][:topN]
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pdb = open(pdb_file.name, "r").read()
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view = py3Dmol.view(width=600, height=400)
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view.setBackgroundColor('white')
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view.addModel(pdb, "pdb")
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view.setStyle({'stick': {'colorscheme': {'prop': 'resi', 'C': '
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# Commenting since the visualizer is not rendered
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# view.addLight([0, 0, 10], [1, 1, 1], 1) # Add directional light from the z-axis
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# view.setSpecular(0.5) # Adjust the specular lighting effect
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@@ -201,7 +205,7 @@ def predict(pdb_code, pdb_file, topN):
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for i in range(topN):
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adaptability_value = adaptability[topN_ind[i]]
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color = '
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view.addSphere({
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'center': {
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'x': atoms_protein.iloc[topN_ind[i], atoms_protein.columns.get_loc("x")],
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@@ -220,7 +224,7 @@ def predict(pdb_code, pdb_file, topN):
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x = f"""<!DOCTYPE html><html> {output} </html>""" # do not use ' in this input
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return f"""<iframe style="width: 100%; height:
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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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topN_ind = np.argsort(adaptability)[::-1][:topN]
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pdb = open(pdb_file.name, "r").read()
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pdb2 = pdb
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view = py3Dmol.view(width=1000, height=800)
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view.setBackgroundColor('white')
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view.addModel(pdb, "pdb")
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view.setStyle({'stick': {'colorscheme': {'prop': 'resi', 'C': '#cccccc'}},'cartoon': {'color': '#4c4e9e', 'alpha':"0.6"}})
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#view.addModel(pdb2, "pdb2")
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#view.setStyle({'cartoon': {'color': 'gray'}})
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# Commenting since the visualizer is not rendered
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# view.addLight([0, 0, 10], [1, 1, 1], 1) # Add directional light from the z-axis
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# view.setSpecular(0.5) # Adjust the specular lighting effect
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for i in range(topN):
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adaptability_value = adaptability[topN_ind[i]]
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color = '#a0210f'
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view.addSphere({
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'center': {
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'x': atoms_protein.iloc[topN_ind[i], atoms_protein.columns.get_loc("x")],
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x = f"""<!DOCTYPE html><html> {output} </html>""" # do not use ' in this input
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return f"""<iframe style="width: 100%; height:820px" 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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