 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+ Sample Image |
|
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.
|
|
a-Cyclodextrin in Aqueous Solution |
|
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).
|
|
a-Cyclodextrin Flexibility |
|
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).
|
|
The Conformation of Sucrose |
|
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).
|
|
The Lipophilicity Pattern of Sucrose |
|
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).
|
|
References |
| [1] |
MolArch + - MOLecular ARCHitecture,
S. Immel, Technical University of Darmstadt, 1997 - 2003.
|
| [2] |
SceneViewer - 3D Editor and Viewer for Inventor Scenes, and
Ivview - A Fast, Interactive 3D Viewer of Inventor Files;
Silicon Graphics Open Inventor 3D Toolkit.
|
| [3] |
|
| [4] |
|
|
|
|
|
