PROPTIMUS LIVE is a freely available application for the local optimisation of protein structures with constrained α-carbons. It is powered by the GFN-Force-Field, accelerated by a divide-and-conquer RAPHAN approach. The details about the methodology and usage are described in the manual.
To run PROPTIMUS LIVE locally, you will need to have Python 3.11, Anaconda and toolkit bun installed.
Start the backend by running the commands:
cd proptimus_live/api/proptimus-api
conda env create -f environment.yml # this step is essential only on the first start
conda activate proptimus-api
flask --app app.routes:application --debug runStart the frontend by running the commands:
cd proptimus_live/ui/proptimus-ui
bun install # this step is essential only on the first start
bun run devPoint your browser to localhost:3000/live.
MIT