Cargando…

YASARA View—molecular graphics for all devices—from smartphones to workstations

Summary: Today's graphics processing units (GPUs) compose the scene from individual triangles. As about 320 triangles are needed to approximate a single sphere—an atom—in a convincing way, visualizing larger proteins with atomic details requires tens of millions of triangles, far too many for s...

Descripción completa

Detalles Bibliográficos
Autores principales: Krieger, Elmar, Vriend, Gert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4184264/
https://www.ncbi.nlm.nih.gov/pubmed/24996895
http://dx.doi.org/10.1093/bioinformatics/btu426
Descripción
Sumario:Summary: Today's graphics processing units (GPUs) compose the scene from individual triangles. As about 320 triangles are needed to approximate a single sphere—an atom—in a convincing way, visualizing larger proteins with atomic details requires tens of millions of triangles, far too many for smooth interactive frame rates. We describe a new approach to solve this ‘molecular graphics problem’, which shares the work between GPU and multiple CPU cores, generates high-quality results with perfectly round spheres, shadows and ambient lighting and requires only OpenGL 1.0 functionality, without any pixel shader Z-buffer access (a feature which is missing in most mobile devices). Availability and implementation: YASARA View, a molecular modeling program built around the visualization algorithm described here, is freely available (including commercial use) for Linux, MacOS, Windows and Android (Intel) from www.YASARA.org. Contact: elmar@yasara.org Supplementary information: Supplementary data are available at Bioinformatics online.