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A Python package that aims to characterise the dynamics of local chemical environments from Molecular Dynamics trajectories of proteins and other biomolecules. Public mirror of https://gitlab.jsc.fz-juelich.de/slbio/speadi.

License: GNU Lesser General Public License v2.1

Python 70.51% Jupyter Notebook 11.54% PostScript 17.95%
md-simulations protein protein-analysis python rdf rdfs simulation van-hove

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