School of Information Science and Engineering, Yanshan University, Qinhuangdao 066004, Hebei, China.
Int J Mol Sci. 2019 Oct 17;20(20):5158. doi: 10.3390/ijms20205158.
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.
分子可视化通常面临实时呈现大型分子结构的挑战。LOD（细节层次）是一种经典技术，其关键在于设计一系列蛋白质的层次抽象。在本文中，我们通过构建蛋白质的完整二叉树，改进了这些抽象之间的过渡平滑度。为了减少与高水平抽象相对应的几何模型的扩展程度，我们引入了最小椭圆包络和一些后处理技术。同时，引入了一种简单的基于图形处理单元（GPU）的椭圆绘制方法，该方法可以保证绘制速度不低于现有的球体绘制方法。最后，我们对不同尺度的一系列分子的渲染性能和效果进行了评估。应用的后处理技术，漫反射和轮廓线，进一步隐藏了扩展问题并突出了表面细节。
