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Nanome Plugin to run minimization on selected structures

Project description

Nanome - Minimization

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

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

Project details


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Filename, size & hash SHA256 hash help File type Python version Upload date
nanome_minimization-0.1.2-py2.py3-none-any.whl (2.4 MB) Copy SHA256 hash SHA256 Wheel py2.py3
nanome-minimization-0.1.2.tar.gz (2.4 MB) Copy SHA256 hash SHA256 Source None

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