Skip to content

An RMSD Plugin for Nanome's Drug Discovery Software

License

Notifications You must be signed in to change notification settings

nanome-ai/plugin-rmsd

Repository files navigation

Nanome - RMSD

A Nanome Plugin to run an RMSD calculation on multiple structures, and auto-align them.

Dependencies

Docker

Usage

To run RMSD in a Docker container:

$ cd docker
$ ./build.sh
$ ./deploy.sh -a <plugin_server_address> [optional args]

Development

To run RMSD with autoreload:

$ python3 -m pip install -r requirements.txt
$ python3 run.py -r -a <plugin_server_address> [optional args]

License

MIT