Ellipsoidal Abstract and Illustrative Representations of Molecular Surfaces

Molecular visualization is often challenged with rendering of large molecular structures in real time. The key to LOD (level-of-detail), a classical technology, lies in designing a series of hierarchical abstractions of protein. In the paper, we improved the smoothness of transition for these abstra...

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Bibliographic Details
Published in:International journal of molecular sciences 2019-10, Vol.20 (20), p.5158
Main Authors: Liang, Meng, Fu, Yuhang, Gao, Ruibo, Wang, Qiaoqiao, Nie, Junlan
Format: Article
Language:English
Subjects:
Algorithms
Amino acids
biological structures
Computer Graphics
Efficiency
ellipsoidal abstract
Geometry
Graphics processing units
Imaging, Three-Dimensional - methods
level of detail
Ligands
Models, Molecular
Molecular structure
molecular visualization
Post-processing
Proteins
Proteins - chemistry
Rendering
Smoothness
Software
Solvents
Spheres
Visualization
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Summary:Molecular visualization is often challenged with rendering of large molecular structures in real time. The key to LOD (level-of-detail), a classical technology, lies in designing a series of hierarchical abstractions of protein. In the paper, we improved the smoothness of transition for these abstractions by constructing a complete binary tree of a protein. In order to reduce the degree of expansion of the geometric model corresponding to the high level of abstraction, we introduced minimum ellipsoidal enveloping and some post-processing techniques. At the same time, a simple, ellipsoid drawing method based on graphics processing unit (GPU) is used that can guarantee that the drawing speed is not lower than the existing sphere-drawing method. Finally, we evaluated the rendering performance and effect on series of molecules with different scales. The post-processing techniques applied, diffuse shading and contours, further conceal the expansion problem and highlight the surface details.
ISSN:1422-0067
1661-6596
1422-0067
DOI:10.3390/ijms20205158