TUD Organische ChemieImmelGraphicsMolArch+AnimationsView or Print (this frame only)View or Print (this frame only)

Top of Page MOLecular ARCHitecture+ - MolArch+ Animations
The following molecular Animations were created from our previous research projects. They demonstrate some types of molecular graphics we use, as well as some dynamic aspects of carbohydrate conformations. All Animations of molecular structures were generated on a Silicon Graphics Workstation using the 'MolArch+'[1], Silicon Graphics 'SceneViewer'[2], 'povray'[3], and 'xmorph'[4] programs, the animations were saved as animated 'gif' graphics or MPEG-videos.

MolArch+ Smaple Image
MolArch+ Sample Image
Top of Page Molecular Anisotropic Thermal Ellipsoids
Molecular anisotropic thermal ellipsoids
A movie demonstrating the graphical representation of molecular anisotropic thermal ellipsoids in detail. A methanol molcule is created step by step and displayed.
Movie 1:
MPEG (4.0 MBytes) video (approx. 47 seconds at 30frames/sec) with an image resolution of 192x192 pixels.
Movie 2:
MPEG (6.5 MBytes); analog to movie 1, but with a resolution of 256x256 dots.
Top of Page a-Cyclodextrin in Aqueous Solution
Cyclodextrin water trajectories
A molecular dynamics simulation of a-cyclodextrin in aqueous solution was used to monitor the diffusion of individual water molecules through the cavity of this torus shaped compound.
A water molecule entering and leaving the cavity on the same molecular side (red trajectory, 7.5 MBytes, GIF).
Diffusion of a water molecule through the cavity (blue trajectory, 4.6 MBytes, GIF).
Top of Page a-Cyclodextrin Flexibility
Cyclodextrin anisotropic thermal ellipsoids
Molecular dynamics simulations show the degree of flexibility of a-cyclodextrin in aqueous solution. Anisotropic thermal ellipsoids display the flexibility of individual molecular fragments.
Anisotropic thermal ellipsoids of a-cyclodextrin (1.0 MBytes, GIF).
Top of Page The Conformation of Sucrose
Sucrose molecular models and conformations
A 'morphed' sequence of different sucrose molecular models and molecular conformations in the solid-state, in vacuum, and in (aqueous) solution.
Different molecular models of Sucrose (1.5 MBytes, GIF).
Sucrose conformations in different physical states (1.1 MBytes, GIF).
Top of Page The Lipophilicity Pattern of Sucrose
Sucrose lipophilicity pattern
A sequence of sucrose molecular models displaying the mode of surface generation and the molecular lipophilicity profile of this compound.
Lipophilicity pattern of sucrose (2.8 MBytes, GIF).
Top of Page References
MolArch+ - MOLecular ARCHitecture, S. Immel, Technical University of Darmstadt, 1997 - 2003.
SceneViewer - 3D Editor and Viewer for Inventor Scenes, and Ivview - A Fast, Interactive 3D Viewer of Inventor Files; Silicon Graphics Open Inventor 3D Toolkit.
POVRAY - Persistence of Vision(tm) Ray Tracer Version 3.02.IRIX.cc; http://www.povray.org.
XMORPH - Digital Image Warp ("morph") graphical user interface, Michael J. Gourlay, 1994 - 2001; http://www.colorado-research.com/~gourlay/software/Graphics/Xmorph/.

© Copyright PD Dr. S. Immel