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Continuous Levels-of-Detail and Visual Abstraction for Seamless Molecular Visualization
University of Bergen, Norway.
Linköping University, Department of Science and Technology, Media and Information Technology. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-5220-633X
Linköping University, Department of Science and Technology, Media and Information Technology. Linköping University, The Institute of Technology.
University of Bergen, Norway.
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2014 (English)In: Computer graphics forum (Print), ISSN 0167-7055, E-ISSN 1467-8659, Vol. 33, no 6, 276-287 p.Article in journal (Refereed) Published
Abstract [en]

Molecular visualization is often challenged with rendering of large molecular structures in real time. We introduce a novel approach that enables us to show even large protein complexes. Our method is based on the level-of-detail concept, where we exploit three different abstractions combined in one visualization. Firstly, molecular surface abstraction exploits three different surfaces, solvent-excluded surface (SES), Gaussian kernels and van der Waals spheres, combined as one surface by linear interpolation. Secondly, we introduce three shading abstraction levels and a method for creating seamless transitions between these representations. The SES representation with full shading and added contours stands in focus while on the other side a sphere representation of a cluster of atoms with constant shading and without contours provide the context. Thirdly, we propose a hierarchical abstraction based on a set of clusters formed on molecular atoms. All three abstraction models are driven by one importance function classifying the scene into the near-, mid- and far-field. 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.

Place, publisher, year, edition, pages
Wiley , 2014. Vol. 33, no 6, 276-287 p.
Keyword [en]
level of detail algorithms; implicit surfaces; clustering; scientific visualization
National Category
Electrical Engineering, Electronic Engineering, Information Engineering
URN: urn:nbn:se:liu:diva-112061DOI: 10.1111/cgf.12349ISI: 000342802200020OAI: diva2:763866

Funding Agencies|PhysioIllustration research project - Norwegian Research Council [218023]; Vienna Science and Technology Fund (WWTF) [VRG11-010]; EC Marie Curie Career Integration Grant [PCIG13-GA-2013-618680]; Excellence Center at Linkoping and Lund in Information Technology (ELLIIT); Swedish Research Council through the Linnaeus Center for Control, Autonomy, and Decisionmaking in Complex Systems (CADICS); Swedish e-Science Research Centre (SeRC); VR [2011-4113]

Available from: 2014-11-17 Created: 2014-11-13 Last updated: 2015-09-23

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