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PyMol_Interactive_Plotting

Multi-component architecture to bind PyMol molecular visualisation software and d3js plots of a molecular simulation parsed and stored in RDF format.

REQUIREMENTS

1. Start the Virtuoso server (RDF database)

$> cd $VIRTUOSO_DB

$> virtuoso-t -f

2. Launch PyMol in interactive mode

$> python plugins/start_3d_visu.py --pdb ../data/peptide_fit.pdb

3. Launch Flask server (webserver)

python app.py [OPTIONS]

with

[OPTIONS]: [-h] [--client_ip CLIENT_IP] [--client_port CLIENT_PORT] [--server_ip SERVER_IP] [--server_port SERVER_PORT] [--ip IP] [--port PORT] [--debug DEBUG]

4. Access HTML interface

Go to 129.175.156.48:5000 or localhost:5000

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