Metadata-Version: 2.4
Name: dynetan
Version: 2.2.2
Summary: A Python implementation for Dynamical Network Analysis.
Project-URL: Homepage, https://gitlab.com/comp-biochem-csu/dynetan
Project-URL: Bug Tracker, https://gitlab.com/comp-biochem-csu/dynetan/-/issues
Project-URL: Documentation, https://dynamical-network-analysis.readthedocs.io
Author-email: "Marcelo C. R. Melo" <melomcr@gmail.com>
License-File: LICENSE
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.9
Requires-Dist: colorama
Requires-Dist: h5py
Requires-Dist: mdanalysis
Requires-Dist: networkx
Requires-Dist: nglview
Requires-Dist: numba
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: python-louvain
Requires-Dist: tqdm
Description-Content-Type: text/markdown

Dynamical Network Analysis
===========================

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The Python implementation of Dynamical Network Analysis was built to provide all
functionalities necessary to the analysis of Molecular Dynamics (MD) simulations
using the Dynamical Network Analysis method.

Install
-------

Install the latest version of Dynamical Network Analysis:

    $ pip install dynetan

For additional details, please see `INSTALL.md`.

Tutorial
--------

Several jupyter notebook tutorials have been prepared as an introduction to this package and were released in an independent repository:

https://gitlab.com/comp-biochem-csu/dynetan_tutorial

Documentation
------------------------

The full documentation can be found at
https://dynamical-network-analysis.readthedocs.io/en/latest/index.html

Resources and References
------------------------

For the background on Dynamical Network Analysis, see the following papers that
describe its development:

* [Generalized correlation-based dynamical network analysis: a new
high-performance approach for identifying allosteric communications in molecular
dynamics trajectories. J. Chem. Phys. (2020).
DOI: 10.1063/5.0018980](https://doi.org/10.1063/5.0018980)

* [Experimental and computational determination of tRNA dynamics. FEBS Letters
(2010). DOI: 10.1016/j.febslet.2009.11.061](https://doi.org/10.1016/j.febslet.2009.11.061)

* [Exit strategies for charged tRNA from GluRS. JMB (2010).
DOI: 10.1016/j.jmb.2010.02.003](https://doi.org/10.1016/j.jmb.2010.02.003)

* [Dynamical Networks in tRNA:protein complexes. PNAS (2009).
DOI: 10.1073/pnas.0810961106](https://doi.org/10.1073/pnas.0810961106)
