Visualization of Biomolecular Structures: State of the Art Revisited

• Published in: Computer graphics forum Vol. 36; no. 8; pp. 178 - 204
• Main Authors: Kozlíková, B., Krone, M., Falk, M., Lindow, N., Baaden, M., Baum, D., Viola, I., Parulek, J., Hege, H.‐C.
• Format: Journal Article
• Language: English
• Published: Oxford Blackwell Publishing Ltd 01.12.2017; Wiley
• Subjects: and object representations; Biochemistry, Molecular Biology; bioinformatics visualization; Categories and Subject Descriptors (according to ACM CCS): I.3.5 [Computer Graphics]: Computational Geometry and Object Modelling—Curve; Computational Geometry; Computer Science; Computer simulation; Image quality; Life Sciences; molecular visualization; solid; surface; Taxonomy; Visualization; bioinformatics visualization; molecular visualization; taxonomy
• ISSN: 0167-7055; 1467-8659; 1467-8659
• DOI: 10.1111/cgf.13072

Structural properties of molecules are of primary concern in many fields. This report provides a comprehensive overview on techniques that have been developed in the fields of molecular graphics and visualization with a focus on applications in structural biology. The field heavily relies on computerized geometric and visual representations of three‐dimensional, complex, large and time‐varying molecular structures. The report presents a taxonomy that demonstrates which areas of molecular visualization have already been extensively investigated and where the field is currently heading. It discusses visualizations for molecular structures, strategies for efficient display regarding image quality and frame rate, covers different aspects of level of detail and reviews visualizations illustrating the dynamic aspects of molecular simulation data. The survey concludes with an outlook on promising and important research topics to foster further success in the development of tools that help to reveal molecular secrets. Structural properties of molecules are of primary concern in many fields. This report provides a comprehensive overview on techniques that have been developed in the fields of molecular graphics and visualization with a focus on applications in structural biology. The field heavily relies on computerized geometric and visual representations of three‐dimensional, complex, large and time‐varying molecular structures. The report presents a taxonomy that demonstrates which areas of molecular visualization have already been extensively investigated and where the field is currently heading. It discusses visualizations for molecular structures, strategies for efficient display regarding image quality and frame rate, covers different aspects of level of detail and reviews visualizations illustrating the dynamic aspects of molecular simulation data.