In this project, a visualization tool is developed which allows the multiresolution extraction and display of transparent isosurfaces of electron densities along with positional information from single atoms. The user can adjust isovalues as well as rotate and zoom the objects at interactive rates. This is possible because the complexity of the extraction algorithm is independent of the input data size but rather proportional to the number of output primitives (i.e. color shaded triangles).
Above images show the cap of a boron-nitrite nanotube. Shown is a transparent isosurface and the atomic positions (hydrogen in blue, boron in red, and nitrite in green). In the upper row snapshots from an interactive applications are taken while changing the viewing angle. In the lower row the isovalue is changed. This is all done at several frames per second.
These are several transparent isosurfaces of the famous buckyball (Buckminster-Fullerene, C60) for varying error thresholds in the multiresolution algorithm. The number of triangles differs by a factor of two in between the images.
This is another type of nanocap with a more pointed end. Here the electron density is rendered with several isosurfaces for varying error thresholds. Again, the number of triangles decreases by a factor of two from left to right.