https://github.com/sizmailov/pyxmolpp2

Processing and analysis of MD trajectories
https://github.com/sizmailov/pyxmolpp2

analysis cxx md molecular-dynamics pdb python

Last synced: 10 months ago
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Processing and analysis of MD trajectories

• Host: GitHub
• URL: https://github.com/sizmailov/pyxmolpp2
• Owner: sizmailov
• License: mit
• Created: 2018-04-20T10:52:55.000Z (about 8 years ago)
• Default Branch: master
• Last Pushed: 2023-09-05T04:05:46.000Z (almost 3 years ago)
• Last Synced: 2025-06-08T21:19:41.642Z (about 1 year ago)
• Topics: analysis, cxx, md, molecular-dynamics, pdb, python
• Language: C++
• Homepage: https://sizmailov.github.io/pyxmolpp2/
• Size: 1.6 MB
• Stars: 6
• Watchers: 2
• Forks: 7
• Open Issues: 4
• Metadata Files:
  • Readme: README.rst
  • License: LICENSE

Awesome Lists containing this project

README

          
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A tool to process MD trajectories

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.. |pypi| image:: https://img.shields.io/pypi/v/pybind11-stubgen.svg?logo=PyPI

    :alt: PyPI package

    :target: https://pypi.org/project/pyxmolpp2/

|pypi|

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About

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C++ and python library to process MD trajectories.

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Install

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.. code-block:: bash

    # 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

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Documentation

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

The documentation includes usage examples and python API reference.

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Contribution

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Issues and PRs are welcome

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License

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Software is distributed under MIT license.