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Nanome Plugin displaying docking score of complexes in the workspace, in realtime

Project description

Nanome - Realtime Scoring

Displays the docking score of selected molecules in the workspace, in realtime using DSX. Support for scoring multiple docking results concurrently is experimental, but available through the options menu.

Linux Support Only

Installation

$ pip install nanome-realtime-scoring

Usage

To start the plugin:

$ nanome-realtime-scoring -a plugin_server_address

In Nanome:

  • Activate Plugin
  • In the plugin window, select a receptor and ligands, then start scoring
  • Plugin will display a list of all other complexes, with their docking score
  • Moving a complex around will update its score

Docker Usage

To run in a Docker container:

$ cd docker
$ ./build.sh
$ ./deploy.sh -a <plugin_server_address>

License

MIT

Project details


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