Ellipsoidal Abstract and Illustrative Representations of Molecular Surfaces

Abstract

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.