semvec/pypi-packages huggingface dataset:
mdscope 0.2.0
A python package to post-process molecular dynamics simulations.
License: MIT license

=======
MDScope
=======


.. image:: https://img.shields.io/pypi/v/mdscope.svg
        :target: https://pypi.python.org/pypi/mdscope


A python package to post-process molecular dynamics simulations.

* Free software: MIT license


Features
--------

* Extract trajectory of molecular dynamics simulations.
* Molecular cluster identification.
* Local entropy fingerprint calculation.
* X-ray scattering intensity calculation.
* To be continued...

Credits
-------

This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage