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
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