Dynamic Visibility-Driven Molecular Surfaces

Abstract

Molecular surface representations are an important tool for the visual analysis of molecular structure and function. In this paper, we present a novel method for the visualization of dynamic molecular surfaces based on the Gaussian model. In contrast to previous approaches, our technique does not rely on the construction of intermediate representations such as grids or triangulated surfaces. Instead, it operates entirely in image space, which enables us to exploit visibility information to efficiently skip unnecessary computations. With this visibility-driven approach, we can visualize dynamic high-quality surfaces for molecules consisting of millions of atoms. Our approach requires no preprocessing, allows for the interactive adjustment of all properties and parameters, and is significantly faster than previous approaches, while providing superior quality.