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| import dash
import dash_bio as dashbio
from dash import dcc, html
from dash.dependencies import Input, Output
from dash.exceptions import PreventUpdate
import dash_bio.utils.ngl_parser as ngl_parser
app = dash.Dash(__name__)
data_path = "https://raw.githubusercontent.com/plotly/datasets/master/Dash_Bio/Molecular/"
dropdown_options = [
{"label": "1BNA", "value": "1BNA"},
{"label": "MPRO", "value": "MPRO"},
{"label": "PLPR", "value": "PLPR"},
{"label": "5L73", "value": "5L73"},
{"label": "NSP2", "value": "NSP2"}
]
app.layout = html.Div([
dcc.Dropdown(
id="default-ngl-molecule-dropdown",
options=dropdown_options,
placeholder="Select a molecule",
value="1BNA"
),
dashbio.NglMoleculeViewer(id="default-ngl-molecule"),
])
@app.callback(
Output("default-ngl-molecule", 'data'),
Output("default-ngl-molecule", "molStyles"),
Input("default-ngl-molecule-dropdown", "value")
)
def return_molecule(value):
if value is None:
raise PreventUpdate
molstyles_dict = {
"representations": ["cartoon", "axes+box"],
"chosenAtomsColor": "white",
"chosenAtomsRadius": 1,
"molSpacingXaxis": 100,
}
data_list = [ngl_parser.get_data(data_path=data_path, pdb_id=value, color='red',reset_view=True, local=False)]
return data_list, molstyles_dict
if __name__ == '__main__':
app.run_server(debug=True)
|
