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@JecaTosovic
JecaTosovic authored Jan 3, 2023
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:target: https://badge.fury.io/py/WaterNetworkAnalysis


The WaterNetworkAnalysis (WNA) Python package serves as a set of tools for input preparation for `ConservedWaterSearch <https://github.com/JecaTosovic/ConservedWaterSearch>`_ python package which identifies conserved water molecules from Molecular Dynamics (MD) trajectories.
The WaterNetworkAnalysis (WNA) Python package serves as a set of tools for input preparation and further analysis for `ConservedWaterSearch <https://github.com/JecaTosovic/ConservedWaterSearch>`_ python package which identifies conserved water molecules from Molecular Dynamics (MD) trajectories.

.. image:: docs/source/figs/Scheme.png
:width: 600

WNA can also be used to create PyMol or nglview visualisations of conserved water networks for drug discovery or materials science purposes.

Important links
===============
- `Documentation <https://waternetworkanalysis.readthedocs.io/en/latest/>`_: hosted on Read The Docs
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