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