sizmailov / pyxmolpp2

Processing and analysis of MD trajectories

A tool to process MD trajectories

About

C++ and python library to process MD trajectories.

Install

# from pypi
python -m pip install pyxmolpp2

# from github dev branch
python -m pip install git+https://github.com/sizmailov/pyxmolpp2.git@dev

See install page for more details

Documentation

https://sizmailov.github.io/pyxmolpp2/

The documentation includes usage examples and python API reference.

Contribution

Issues and PRs are welcome

License

Software is distributed under MIT license.