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(Badges)\n\n[![Powered by NumFOCUS](https://img.shields.io/badge/powered%20by-NumFOCUS-orange.svg?style=flat\u0026colorA=E1523D\u0026colorB=007D8A)](https://www.numfocus.org/)\n[![Powered by MDAnalysis](https://img.shields.io/badge/powered%20by-MDAnalysis-orange.svg?logoWidth=16\u0026logo=data:image/x-icon;base64,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)](https://www.mdanalysis.org)\n[![GitHub Actions Status](https://github.com/MDAnalysis/solvation-analysis/workflows/CI/badge.svg)](https://github.com/MDAnalysis/solvation-analysis/actions?query=workflow%3ACI)\n[![codecov](https://codecov.io/gh/MDAnalysis/solvation-analysis//branch/main/graph/badge.svg)](https://codecov.io/gh/MDAnalysis/solvation-analysis//branch/main)\n[![docs](https://img.shields.io/badge/docs-latest-brightgreen.svg)](https://solvation-analysis.readthedocs.io/en/latest/)\n[![pub](https://joss.theoj.org/papers/10.21105/joss.05183/status.svg)](https://doi.org/10.21105/joss.05183)\n\n[//]: # ([![DOI]\u0026#40;https://zenodo.org/badge/371804402.svg\u0026#41;]\u0026#40;https://zenodo.org/badge/latestdoi/371804402\u0026#41;)\n\n\n---\n\nSolvation analysis implements a robust, cohesive, and fast set of methods\nfor analyzing the solvation structure of a liquid. It integrates with\n[MDAnalysis](https://www.mdanalysis.org/) to seamlessly calculate, query,\nand visualize solvation information.\n\nFind documentation and tutorials on [readthedocs](https://solvation-analysis.readthedocs.io/en/latest/).\n\n### Installing SolvationAnalysis\n\nSolvationAnalysis is available on PyPI and conda-forge can be installed with pip or conda:\n\n```bash\npip install solvation-analysis\n\n# or\n\nconda install -c conda-forge solvation_analysis\n```\n\n### Solvation Analysis Summarized\n\n![summary](docs/tutorials/images/summary_figure.png)\n\n\n### Visualization\n\nWith just a few lines of code, solvation analysis can calculate detailed\nproperties within and between solvent systems. A few examples are shown below.\n\n![solvation_analysis.plotting.compare_coordination_numbers](docs/tutorials/images/coordination_plot.png)\n\n![solvation_analysis.plotting.plot_speciation](docs/tutorials/images/speciation_plot.png)\n\n![solvation_analysis.plotting.plot_rdfs](docs/tutorials/images/rdf_plot.png)\n\n\n### Contributing\n\nContributions, both issues and PRs, are welcome. If you'd like to contribute, we ask that you\nfollow the community guidelines outlined in the [MDAnalysis Code of Conduct](https://www.mdanalysis.org/pages/conduct/).\n\nSolvation Analysis uses [pre-commit](https://pre-commit.com/) for linting. Make sure to install\nthe pre-commit hooks if you are working on a contribution.\n\n### Citation\n\nThis work is described in [JOSS](https://doi.org/10.21105/joss.05183), please cite it if you make\nuse of this package in published work.\n\n---\n\nProject based on the\n[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.5.\n\n\n\n[readthedocs]: (https://solvation-analysis.readthedocs.io/en/latest/)\n[robust, cohesive, and fast set of methods]:(https://summerofcode.withgoogle.com/projects/#6227159028334592)\n[Google Summer of Code]: https://summerofcode.withgoogle.com/\n[MDAnalysis]: https://www.mdanalysis.org/\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmdanalysis%2Fsolvation-analysis","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmdanalysis%2Fsolvation-analysis","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmdanalysis%2Fsolvation-analysis/lists"}