https://github.com/kain88-de/mdacli

some simple CLI tools written with MDAnalysis.
https://github.com/kain88-de/mdacli

cli gromacs mdanalysis

Last synced: over 1 year ago
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some simple CLI tools written with MDAnalysis.

• Host: GitHub
• URL: https://github.com/kain88-de/mdacli
• Owner: kain88-de
• License: other
• Created: 2017-12-08T19:43:22.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2017-12-31T11:33:19.000Z (over 8 years ago)
• Last Synced: 2025-02-01T05:26:06.268Z (over 1 year ago)
• Topics: cli, gromacs, mdanalysis
• Language: Python
• Size: 19.5 KB
• Stars: 1
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst
  • License: LICENSE

Awesome Lists containing this project

README

          
=============================================

  CLI tools to work with GROMACS Simulations

=============================================

The g_tools implemented in GROMACS make some things that should be easy

unnecessarily complex. This is a small set of CLI tools for myself writtin in MDAnalysis

to help use GROMACS. I hope it's useful for others too.

Installation

============

.. code::

    python setup.py install --user