.. _Menger_Curvature:

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Menger_Curvature
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| 🖋️ **Authors**: `Menger_Curvature authors`_
| 🏠 **Project home:** https://github.com/EtienneReboul/menger_curvature
| 📖 **Documentation:** https://menger-curvature.readthedocs.io/
| ⚖️ **License:** GPL-2.0-or-later
| 🔑 **Keywords:** IDP, IDR, flexibility, Menger curvature, protein
| 🚀 **Development status:** Development Status :: 5 - Production/Stable
| 📜 **Changelog:** https://github.com/EtienneReboul/menger_curvature/blob/main/CHANGELOG.md
| 📑 **Publications:**
|    * https://pubs.acs.org/doi/abs/10.1021/acs.jcim.4c00742
|    * https://doi.org/10.1101/2025.02.22.639620
|    * https://doi.org/10.1101/2025.02.19.638976
| 🧪 **Tests (latest):** |Menger_Curvature_latest| 
| 🧪 **Tests (develop):** |Menger_Curvature_develop| 
| **Description:**
| *This project aims to provide a simple MDAkit for JIT accelerated Menger curvature calculation. The idea is to associate a value of curvature to as many residues as possible in a polymer. If one has access to several conformations , the average value of the curvature (LC) and its standard deviation (LF) are valuable information to characterize the local dynamics of the backbone.*



Installation instructions
=========================

The latest version of Menger_Curvature can be installed using the following:

.. code-block:: bash

    mamba install -c conda-forge numba mdanalysis
    pip install menger-curvature

The source code of Menger_Curvature can be installed using the following:

.. code-block:: bash

    mamba install -c conda-forge numba mdanalysis
    pip install git+https://github.com/EtienneReboul/menger_curvature@main

.. _`Menger_Curvature authors`:
   https://github.com/EtienneReboul/menger_curvature/blob/main/AUTHORS.md

.. |Menger_Curvature_latest| image:: https://img.shields.io/badge/latest-passed-green.svg
   :alt: Menger_Curvature develop CI status
   :target: https://github.com/MDAnalysis/MDAKits/actions

.. |Menger_Curvature_develop| image:: https://img.shields.io/badge/develop-passed-green.svg
   :alt: Menger_Curvature develop CI status
   :target: https://github.com/MDAnalysis/MDAKits/actions