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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2014
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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. |
format | Online Article Text |
id | pubmed-4184264 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT kriegerelmar yasaraviewmoleculargraphicsforalldevicesfromsmartphonestoworkstations AT vriendgert yasaraviewmoleculargraphicsforalldevicesfromsmartphonestoworkstations |