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Update app.py
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app.py
CHANGED
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@@ -8,7 +8,7 @@ from gradio_moleculeview import moleculeview
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import cellscape
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def predict(input_mol, style, view_str, chains):
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# write view to file
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with open("view_matrix", "w") as f:
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f.write(json.loads(view_str))
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@@ -22,7 +22,7 @@ def predict(input_mol, style, view_str, chains):
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if style == "Goodsell3D":
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os.system(f"cellscape cartoon --pdb {input_mol.name} --outline residue --color_by chain --depth_shading --depth_lines --colors {chain_str} --depth flat --back_outline --view view_matrix --save outline_all.svg")
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elif style == "Contour":
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os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --color_by chain --depth_contour_interval
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else:
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os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --colors {chain_str} --depth flat --back_outline --view view_matrix --save outline_all.svg")
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@@ -37,10 +37,17 @@ def predict(input_mol, style, view_str, chains):
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with gr.Blocks() as demo:
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gr.Markdown("# PDB2Vector")
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style = gr.Radio(value="Flat", choices=["Flat", "Contour", "Goodsell3D"], label="Style")
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inp = moleculeview(label="Molecule3D")
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view_str = gr.Textbox("viewMatrixResult", label="View Matrix", visible=False)
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@@ -53,7 +60,7 @@ with gr.Blocks() as demo:
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out_file = gr.File(label="Download SVG")
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btn.click(None, style, [view_str, chains, hidden_style, timestamp], js="(style) => [document.getElementById('viewMatrixResult').value, document.getElementById('chains').value, style, Date.now()]") #
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timestamp.change(predict, [inp, style, view_str, chains], [html, out_file])
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# on change of chains trigger, rendering
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import cellscape
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def predict(input_mol, style, contour_level, view_str, chains):
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# write view to file
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with open("view_matrix", "w") as f:
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f.write(json.loads(view_str))
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if style == "Goodsell3D":
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os.system(f"cellscape cartoon --pdb {input_mol.name} --outline residue --color_by chain --depth_shading --depth_lines --colors {chain_str} --depth flat --back_outline --view view_matrix --save outline_all.svg")
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elif style == "Contour":
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os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --color_by chain --depth_contour_interval {contour_level} --colors {chain_str} --depth contours --back_outline --view view_matrix --save outline_all.svg")
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else:
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os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --colors {chain_str} --depth flat --back_outline --view view_matrix --save outline_all.svg")
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def show_contour_level(style):
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if style=="Contour":
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return gr.Slider(0,10,1, label="Contour level", visible=True)
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else:
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return gr.Slider(0,10,1, label="Contour level", visible=False)
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with gr.Blocks() as demo:
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gr.Markdown("# PDB2Vector")
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style = gr.Radio(value="Flat", choices=["Flat", "Contour", "Goodsell3D"], label="Style")
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contour_level = gr.Slider(0,10,1, label="Contour level", visible=False)
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style.change(show_contour_level, style, contour_level)
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inp = moleculeview(label="Molecule3D")
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view_str = gr.Textbox("viewMatrixResult", label="View Matrix", visible=False)
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out_file = gr.File(label="Download SVG")
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btn.click(None, style, [view_str, chains, hidden_style, timestamp], js="(style) => [document.getElementById('viewMatrixResult').value, document.getElementById('chains').value, style, Date.now()]") #
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timestamp.change(predict, [inp, style, contour_level, view_str, chains], [html, out_file])
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# on change of chains trigger, rendering
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