title: GPU-powered tools boost molecular visualization.
abstract: Recent advances in experimental structure determination provide a wealth of structural data on huge macromolecular assemblies such as the ribosome or viral capsids, available in public databases. Further structural models arise from reconstructions using symmetry orders or fitting crystal structures into low-resolution maps obtained by electron-microscopy or small angle X-ray scattering experiments. Visual inspection of these huge structures remains an important way of unravelling some of their secrets. However, such visualization cannot conveniently be carried out using conventional rendering approaches, either due to performance limitations or due to lack of realism. Recent developments, in particular drawing benefit from the capabilities of Graphics Processing Units (GPUs), herald the next generation of molecular visualization solutions addressing these issues. In this article, we present advances in computer science and visualization that help biologists visualize, understand and manipulate large and complex molecular systems, introducing concepts that remain little-known in the bioinformatics field. Furthermore, we compile currently available software and methods enhancing the shape perception of such macromolecular assemblies, for example based on surface simplification or lighting ameliorations.
authors.affiliation: Commissariat à l'énergie atomique et aux énergies alternatives.
authors.forename: Matthieu
authors.initials: M
authors.lastname: Chavent
authors.forename: Bruno
authors.initials: B
authors.lastname: Lévy
authors.forename: Michael
authors.initials: M
authors.lastname: Krone
authors.forename: Katrin
authors.initials: K
authors.lastname: Bidmon
authors.forename: Jean-Philippe
authors.initials: JP
authors.lastname: Nominé
authors.forename: Thomas
authors.initials: T
authors.lastname: Ertl
authors.forename: Marc
authors.initials: M
authors.lastname: Baaden
mesh_terms: D003196:Computer Graphics; D046911:Macromolecular Substances / Q000737:chemistry; D008854:Microscopy, Electron; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D053838:Scattering, Small Angle; D012984:Software
chemical_list: D046911:Macromolecular Substances; D011506:Proteins