Journal of Computational Chemistry
Computing Smooth Molecular Surfaces
IEEE Computer Graphics and Applications
Guaranteed Quality Triangulation of Molecular Skin Surfaces
VIS '04 Proceedings of the conference on Visualization '04
Real-time GPU rendering of piecewise algebraic surfaces
ACM SIGGRAPH 2006 Papers
Image enhancement by unsharp masking the depth buffer
ACM SIGGRAPH 2006 Papers
Meshing skin surfaces with certified topology
Computational Geometry: Theory and Applications
An algebraic spline model of molecular surfaces
Proceedings of the 2007 ACM symposium on Solid and physical modeling
Visualization of Industrial Structures with Implicit GPU Primitives
ISVC '08 Proceedings of the 4th International Symposium on Advances in Visual Computing
Triangulation of molecular surfaces
Computer-Aided Design
Optimized data transfer for time-dependent, GPU-based glyphs
PACIFICVIS '09 Proceedings of the 2009 IEEE Pacific Visualization Symposium
Interactive Visualization of Molecular Surface Dynamics
IEEE Transactions on Visualization and Computer Graphics
Real-Time Ray Tracing of Implicit Surfaces on the GPU
IEEE Transactions on Visualization and Computer Graphics
Iterative methods for visualization of implicit surfaces on GPU
ISVC'07 Proceedings of the 3rd international conference on Advances in visual computing - Volume Part I
Hardware-accelerated glyphs for mono- and dipoles in molecular dynamics visualization
EUROVIS'05 Proceedings of the Seventh Joint Eurographics / IEEE VGTC conference on Visualization
GPU-based ray-casting of quadratic surfaces
SPBG'06 Proceedings of the 3rd Eurographics / IEEE VGTC conference on Point-Based Graphics
CUDA accelerated blobby molecular surface generation
PPAM'11 Proceedings of the 9th international conference on Parallel Processing and Applied Mathematics - Volume Part I
Visualization for the Physical Sciences
Computer Graphics Forum
Interactive exploration of protein cavities
EuroVis'11 Proceedings of the 13th Eurographics / IEEE - VGTC conference on Visualization
GPU-accelerated molecular visualization on petascale supercomputing platforms
UltraVis '13 Proceedings of the 8th International Workshop on Ultrascale Visualization
Interactive extraction and tracking of biomolecular surface features
EuroVis '13 Proceedings of the 15th Eurographics Conference on Visualization
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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 interactive frame rates for molecular dynamics trajectories of up to twenty thousand atoms for the SES and up to a few thousand atoms for the MSS. Third, we reduce the rendering time for the SES using tight-fitting bounding quadrangles as rasterization primitives. These primitives also accelerate the rendering of the MSS. With these improvements, the interactive visualization of the MSS of dynamic trajectories of a few thousand atoms becomes for the first time possible. Nevertheless, the SES remains a few times faster than the MSS.