The installation procedure works correctly with recent versions of Linux (Ubuntu 20.04 and 22.04) and MacOS (Sonoma 14.4.1) operating systems. Typical install time on a normal desktop computer is around 5 minutes. If you encounter any trouble to install WARIO, please file an [issue](https://gitlab.laas.fr/moma/WARIO/-/issues) or [contact us](mailto:javier.gonzalez-delgado@math.univ-toulouse.fr).
The installation procedure works correctly with recent versions of Linux (Ubuntu 20.04 and 22.04) and MacOS (Sonoma 14.4.1) operating systems. Typical install time on a normal desktop computer is around 5 minutes. If you encounter any trouble to install WARIO, please file an [issue](https://gitlab.laas.fr/moma/WARIO/-/issues) or [contact us](mailto:javier.gonzalez-delgado@math.univ-toulouse.fr).
## DEMO (data example)
WARIO can be tested on the MD simulation of the P113 protein ensemble included [here](https://gitlab.laas.fr/moma/WARIO/-/blob/main/wario/P113). This dataset contains $n=100001$ conformations for a sequence of length $L=13$. To run WARIO on the P113 ensemble, the user can uncomment the lines
```
#ensemble_folder = "/".join([path_to_notebook,'P113']) # Path to the folder containing trajectory files
#ensemble_name = "P113" # Name the ensemble
```
in the second code cell of the [contact_clustering](https://gitlab.laas.fr/moma/WARIO/-/blob/main/wario/contact_clustering.ipynb) notebook, and proceed following the usual guidelines. Then, results will be automatically saved in the [P113 folder](https://gitlab.laas.fr/moma/WARIO/-/blob/main/wario/P113). The typical running time for this data example is around 30 minutes in a normal desktop computer using 5 threads.
