University of Bergen | Faculty of Mathematics and Natural Sciences | Department of Informatics | Visualization Group
Visualization
You are here: Department of Informatics > Visualization Group > Publications > Parulek13Seamless
 Visualization
 > about
 > team & contact info
 > research
 > publications
 > projects
 > teaching
 > seminars
 > resources
 > network
 > events
 > links

Seamless Abstraction of Molecular Surfaces

Julius Parulek, Timo Ropinski, Ivan Viola

INPROCEEDINGS, Proceedings of the 29th Spring Conference on Computer Graphics, 2013

Abstract

Molecular visualization is often challenged with rendering of large sequences of molecular simulations in real time. We introduce a novel approach that enables us to show even large protein complexes over time in real-time. Our method is based on the level-ofdetail concept, where we exploit three different molecular surface models, solvent excluded surface (SES), Gaussian kernels and van der Waals spheres combined in one visualization. We introduce three shading levels that correspond to their geometric counterparts and a method for creating seamless transition between these representations. The SES representation with full shading and added contours stands in focus while on the other side a sphere representation with constant shading and without contours provide the context. Moreover, we introduce a methodology to render the entire molecule directly using the A-buffer technique, which further improves the performance. The rendering performance is evaluated on series of molecules of varying atom counts.

Published

Proceedings of the 29th Spring Conference on Computer Graphics

  • Series: SCCG '13
  • Pages: 120–127
  • ISBN: 978-80-223-3377-1
  • Location: Smolenice, Slovak Republic
  • Project: PhysioIllustrator

Media

  • paper
  • Click to view
  • Click to view

BibTeX

@inproceedings{Parulek13Seamless,
 author = {Julius Parulek and Timo Ropinski and Ivan Viola},
 title = {Seamless Abstraction of Molecular Surfaces},
 booktitle = {Proceedings of the 29th Spring Conference on Computer Graphics},
 series = {SCCG '13},
 year = {2013},
 isbn = {978-80-223-3377-1},
 location = {Smolenice, Slovak Republic},
 pages = {120--127},
 numpages = {8},
 abstract = {Molecular visualization is often challenged with rendering of large
  sequences of molecular simulations in real time. We introduce a
  novel approach that enables us to show even large protein complexes 
  over time in real-time. Our method is based on the level-ofdetail
  concept, where we exploit three different molecular surface
  models, solvent excluded surface (SES), Gaussian kernels and van
  der Waals spheres combined in one visualization. We introduce
  three shading levels that correspond to their geometric counterparts
  and a method for creating seamless transition between these representations.
  The SES representation with full shading and added
  contours stands in focus while on the other side a sphere representation
  with constant shading and without contours provide the
  context. Moreover, we introduce a methodology to render the entire
  molecule directly using the A-buffer technique, which further
  improves the performance. The rendering performance is evaluated
  on series of molecules of varying atom counts.
 },

}






 Last Modified: Jean-Paul Balabanian, 2014-02-28