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SolvationAnalysis
Solvation analysis implements a robust, cohesive, and fast set of methods for analyzing the solvation structure of a liquid. It seamlessly integrates with MDAnalysis, making use of the core AtomGroup and Universe data structures to parse solvation information. If you are interested in understanding the solvation structure of a liquid, this package is for you!
Find the documentation on readthedocs.
Acknowledgements
Google Summer of Code and the MDAnalysis team provided funding and support for this project.
Main development by @orioncohen, with mentorship from @richardjgowers, @IAlibay, @hmacdope, and @htz1992213.
Project based on the Computational Molecular Science Python Cookiecutter version 1.5.
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