Accelerated Visualization of Dynamic Molecular Surfaces

Molecular surfaces play an important role in studying the interactions between molecules. Visualizing the dynamic behavior of molecules is particularly interesting to gain insights into a molecular system. Only recently it has become possible to interactively visualize dynamic molecular surfaces using ray casting techniques. In this paper, we show how to further accelerate the construction and the rendering of the solvent excluded surface (SES) and the molecular skin surface (MSS). We propose several improvements to reduce the update times for displaying these molecular surfaces. First, we adopt a parallel approximate Voronoi diagram algorithm to compute the MSS. This accelerates the MSS computation by more than one order of magnitude on a single core. Second, we demonstrate that the contour-buildup algorithm is ideally suited for computing the SES due to its inherently parallel structure. For both parallel algorithms, we observe good scalability up to 8 cores and, thus, obtain intera...

• Type: Journal
• Year: 2010
• Where: CGF
• Authors: Norbert Lindow, Daniel Baum, Steffen Prohaska, Hans-Christian Hege
• Keywords: CGF 2010, Molecular, Molecular Skin Surface, Surfaces