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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...

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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
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author Krieger, Elmar
Vriend, Gert
author_facet Krieger, Elmar
Vriend, Gert
author_sort Krieger, Elmar
collection PubMed
description 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.
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spelling pubmed-41842642014-10-07 YASARA View—molecular graphics for all devices—from smartphones to workstations Krieger, Elmar Vriend, Gert Bioinformatics Applications Notes 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. Oxford University Press 2014-10-15 2014-07-04 /pmc/articles/PMC4184264/ /pubmed/24996895 http://dx.doi.org/10.1093/bioinformatics/btu426 Text en © The Author 2014. Published by Oxford University Press. http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Applications Notes
Krieger, Elmar
Vriend, Gert
YASARA View—molecular graphics for all devices—from smartphones to workstations
title YASARA View—molecular graphics for all devices—from smartphones to workstations
title_full YASARA View—molecular graphics for all devices—from smartphones to workstations
title_fullStr YASARA View—molecular graphics for all devices—from smartphones to workstations
title_full_unstemmed YASARA View—molecular graphics for all devices—from smartphones to workstations
title_short YASARA View—molecular graphics for all devices—from smartphones to workstations
title_sort yasara view—molecular graphics for all devices—from smartphones to workstations
topic Applications Notes
url 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
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