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PYTRAJ

A Python front-end of [cpptraj program] (https://github.com/Amber-MD/cpptraj) (a data analysis package for biomolecular simulation).

Website: http://amber-md.github.io/pytraj

Features

Install

Supported platforms: Linux, OSX

How to get started?

Contributors and Acknowledgement

Please check here

Citation

If you would like to acknowledge our work, please cite both cpptraj and pytraj.

Something like:

"...used pytraj [1], a Python package binding to cpptraj program [2]"

Question/Suggestion?

nglview with pytraj in Jupyter notebook

Demo: Interactive data exploration with [Jupyter notebook] (http://jupyter.org/)

pytraj website

License

GPL v3 (since pytraj is derived work of cpptraj)

But if you would like to reuse code snippets and pieces independent of cpptraj, I am (Hai) happy to license them (pieces of codes) under BSD-2 Clause or whatever you like. Just buzz us.