SOVA (Structural Order Visualization and Analysis tools) is a software to visualize and to analyze structural order of materials. SOVA can compute not only basic statistics such as pair-distribution functions (PDFs) and coordination statistics (bond angles and coordination numbers), but also enumerations of inter-mediate scale structural units such as rings and cavities.

The Python package (sovapy) is available from the PyPI website (https://pypi.org/project/sovapy/). See example codes in the Github repogitory (https://github.com/MotokiShiga/sova-cui).

The GUI Apps are available

• Windows version 0.6.0 (Updated Dec 20, 2024.)
• Mac version 0.6.0 (Updated Dec 20, 2024.)
  Because of secrity settings, the Mac version might require to implement “xattr -rc /Applications/SOVA.app” in Terminal App.

Citations:
We are preaparing a manuscript for this package. Before the publication, you should cite this url and the following papers. If you have implemented ring analysis, please cite the original papers of ring definitions (Guttman, King, and Primitive) and our paper:
[1] M. Shiga, A. Hirata, Y. Onodera, H. Masai, Ring-originated anisotropy of local structural ordering in amorphous and crystalline silicon dioxide. Commun. Mater. 4, 91 (2023). https://doi.org/10.1038/s43246-023-00416-w

For cavity analysis, please cite
[2] I. Meyer, F. Rhiem, F. Beule, D. Knodt, J. Heinen, R. O. Jones, pyMolDyn: Identification, structure, and properties of cavities/vacancies in condensed matter, J. Comput. Chem., 38, 389–394 (2017). https://doi.org/10.1002/jcc.24697

Acknowledgements：The development has been supported by JSPS KAKENHI, Grant-in-Aid for Transformative Research Areas (A) “Hyper-Ordered Structure” .