Free tools for crystallographic symmetry handling and visualization

J Appl Crystallogr. 2024 Sep 20;57(Pt 5):1618-1639. doi: 10.1107/S1600576724007659. eCollection 2024 Oct 1.

Abstract

Online courses and innovative teaching methods have triggered a trend in education, where the integration of multimedia, online resources and interactive tools is reshaping the view of both virtual and traditional classrooms. The use of interactive tools extends beyond the boundaries of the physical classroom, offering students the flexibility to access materials at their own speed and convenience and enhancing their learning experience. In the field of crystallography, there are a wide variety of free online resources such as web pages, interactive applets, databases and programs that can be implemented in fundamental crystallography courses for different academic levels and curricula. This paper discusses a variety of resources that can be helpful for crystallographic symmetry handling and visualization, discussing four specific resources in detail: the Bilbao Crystallographic Server, the Cambridge Structural Database, VESTA and Jmol. The utility of these resources is explained and shown by several illustrative examples.

Keywords: Bilbao Crystallographic Server; Cambridge Structural Database; Jmol/JSmol; VESTA; symmetry visualization.

Grants and funding

M. I. Aroyo and G. de la Flor thank the Government of the Basque Country (Eusko Jaurlaritza) (Project No. IT1458-22).