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Update README.md to include more plots.
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orionarcher committed May 9, 2024
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Expand Up @@ -15,11 +15,11 @@ 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](https://www.mdanalysis.org/), 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!
for analyzing the solvation structure of a liquid. It integrates with
[MDAnalysis](https://www.mdanalysis.org/) to seamlessly calculate, query,
and visualize solvation information.

![summary](docs/tutorials/images/summary_figure.png)

Find documentation and tutorials on [readthedocs].

Expand All @@ -35,6 +35,19 @@ pip install solvation-analysis
conda install -c conda-forge solvation_analysis
```

### Select Features

With just a few lines of code, solvation analysis can calculate detailed
properties within and between solvent systems. A few examples are shown below.

![solvation_analysis.plotting.compare_coordination_numbers](docs/tutorials/images/coordination_plot.png)

![solvation_analysis.plotting.plot_speciation](docs/tutorials/images/speciation_plot.png)

![solvation_analysis.plotting.plot_rdfs](docs/tutorials/images/rdf_plot.png)

```python

### Contributing

Contributions, both issues and PRs, are welcome. If you'd like to contribute, we ask that you
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