Spaces:
Running
Running
File size: 1,665 Bytes
3c50437 514575e 3c50437 eda1603 3c50437 eda1603 a7f5d18 3c50437 a7f5d18 3c50437 a7f5d18 3c50437 eda1603 a7f5d18 5ae80ee eda1603 a7f5d18 eda1603 a7f5d18 eda1603 a7f5d18 eda1603 a7f5d18 514575e a7f5d18 514575e |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 |
import gradio as gr
from gradio_molecule3d import Molecule3D
example = Molecule3D().example_value()
reps = [
{
"model": 0,
"chain": "",
"resname": "",
"style": "cartoon",
"color": "hydrophobicity",
# "residue_range": "",
"around": 0,
"byres": False,
# "visible": False,
# "opacity": 0.5
}
]
def predict(x):
print("predict function", x)
print(x.name)
return x
# def update_color(mol, color):
# reps[0]['color'] = color
# print(reps)
# return Molecule3D(mol, reps=reps)
with gr.Blocks() as demo:
gr.Markdown("# Molecule3D")
# color_choices = ['redCarbon', 'greenCarbon', 'orangeCarbon', 'blackCarbon', 'blueCarbon', 'grayCarbon', 'cyanCarbon']
inp = Molecule3D(label="Molecule3D", reps=reps)
# cdr_color = gr.Dropdown(choices=color_choices, label="CDR color", value='redCarbon')
out = Molecule3D(label="Output", reps=reps)
# cdr_color.change(update_color, inputs=[inp,cdr_color], outputs=out)
btn = gr.Button("Predict")
gr.Markdown("""
You can configure the default rendering of the molecule by adding a list of representations
<pre>
reps = [
{
"model": 0,
"style": "cartoon",
"color": "whiteCarbon",
"residue_range": "",
"around": 0,
"opacity":1
},
{
"model": 0,
"chain": "A",
"resname": "HIS",
"style": "stick",
"color": "red"
}
]
</pre>
""")
btn.click(predict, inputs=inp, outputs=out)
if __name__ == "__main__":
demo.launch()
|