nanome-minimization

Nanome Plugin to run minimization on selected structures


Keywords
virtual-reality, chemistry, python, api, plugin
License
MIT
Install
pip install nanome-minimization==0.3.0

Documentation

Nanome - Minimization

Minimization arranges the selected molecule to try to find a geometry where inter-atomic forces are as close to zero as possible.

Dependencies

nanome-minimization requires nanobabel to exist in the working directory, or for the path to be specified in the environment variable NANOBABEL.

Installation

$ pip install nanome-minimization

Usage

To start the plugin:

$ nanome-minimization -a plugin_server_address

In Nanome:

  • Activate Plugin
  • Select atoms to minimize
  • Click Run to immediately minimize or Advanced Settings to choose different options

License

MIT