@misc{BestHege, author = {Best, Christoph and Hege, Hans-Christian}, title = {Visualizing conformations in molecular dynamics}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-3859}, number = {SC-98-42}, abstract = {The Monte Carlo simulation of the dynamics of complex molecules produces trajectories with a large number of different configurations to sample configuration space. It is expected that these configurations can be classified into a small number of conformations representing essential changes in the shape of the molecule. We present a method to visualize these conformations by point sets in the plane based on a geometrical distance measure between individual configurations. It turns out that different conformations appear as well-separated point sets. The method is further improved by performing a cluster analysis of the data set. The point-cluster representation is used to control a three-dimensional molecule viewer application to show individual configurations and conformational changes. The extraction of essential coordinates and visualization of molecular shape is discussed.}, language = {en} } @misc{SchmidtEhrenbergHege, author = {Schmidt-Ehrenberg, Johannes and Hege, Hans-Christian}, title = {Visualizing Quantum Mechanical Phenomena}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-4287}, number = {SC-99-39}, abstract = {In this paper we discuss several ways to visualize stationary and non-stationary quantum mechanical systems. We demonstrate an approach for the quantitative interpretation of probability density isovalues which yields a reasonable correlation between isosurfaces for different timesteps. As an intuitive quantity for visualizing the momentum of a quantum system we propose the probability flow density which can be treated by vector field visualization techniques. Finally, we discuss the visualization of non-stationary systems by a sequence of single timestep images.}, language = {en} } @misc{BengerHege, author = {Benger, Werner and Hege, Hans-Christian}, title = {Tensor Splats}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-7393}, number = {03-17}, abstract = {An improved general-purpose technique for the visualization of symmetric positive definite tensor fields of rank two is described. It is based on a splatting technique that is built from tiny transparent glyph primitives which are capable to incorporate the full directional information content of a tensor. The result is an information-rich image that allows to read off the preferred directions in a tensor field at each point of a three-dimensional volume or two-dimensional surface. It is useful for analyzing slices or volumes of a three-dimensional tensor field and can be overlayed with standard volume rendering or color mapping. The application of the rendering technique is demonstrated on general relativistic data and the diffusion tensor field of a human brain.}, language = {en} }