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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: about 1 month 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 (over 6 years ago)
- Default Branch: master
- Last Pushed: 2023-09-05T04:05:46.000Z (over 1 year ago)
- Last Synced: 2024-04-26T02:04:10.212Z (8 months ago)
- Topics: analysis, cxx, md, molecular-dynamics, pdb, python
- Language: C++
- Homepage: https://sizmailov.github.io/pyxmolpp2/
- Size: 1.6 MB
- Stars: 5
- Watchers: 3
- Forks: 7
- Open Issues: 4
-
Metadata Files:
- Readme: README.rst
- License: LICENSE
Awesome Lists containing this project
README
#################################
A tool to process MD trajectories
#################################.. |pypi| image:: https://img.shields.io/pypi/v/pybind11-stubgen.svg?logo=PyPI
:alt: PyPI package
:target: https://pypi.org/project/pyxmolpp2/|pypi|
-----
About
-----C++ and python library to process MD trajectories.
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Install
-------.. 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@devSee `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.