Free tools for crystallographic symmetry handling and visualization.

IF 6.1 3区材料科学 Q1 Biochemistry, Genetics and Molecular Biology Journal of Applied Crystallography Pub Date : 2024-09-20 eCollection Date: 2024-10-01 DOI:10.1107/S1600576724007659

Gemma de la Flor, Mois I Aroyo, Ilaria Gimondi, Suzanna C Ward, Koichi Momma, Robert M Hanson, Leopoldo Suescun

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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.

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晶体学对称性处理和可视化的免费工具。

在线课程和创新教学方法引发了一种教育趋势，即多媒体、在线资源和互动工具的整合正在重塑虚拟课堂和传统课堂的观点。互动工具的使用超越了实体教室的界限，为学生提供了以自己的速度和便利方式获取材料的灵活性，增强了他们的学习体验。在晶体学领域，有各种各样的免费在线资源，如网页、交互式小程序、数据库和程序，可用于不同学术水平和课程的晶体学基础课程。本文讨论了有助于晶体学对称性处理和可视化的各种资源，并详细讨论了四个具体资源：毕尔巴鄂晶体学服务器、剑桥结构数据库、VESTA 和 Jmol。通过几个示例解释并展示了这些资源的实用性。

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来源期刊

Journal of Applied Crystallography 化学-晶体学

CiteScore

10.00

自引率

3.30%

发文量

178

审稿时长

4.7 months

期刊介绍： Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.