Dynamic Molecules

4. Dynamic Molecules

We can combine molecular shapes generated from PDB data or X-Ray photos, and electrostatic field of molecules computed from PDB data, to build an animation system of molecules whose configuration varies dynamically over time. Configuration at each time step including orientations and positions is computed to produce animated molecules.

Dynamic Molecule Animation System


CPK Model

Solvent Accessible Model

Molecular Surfaces

CPK Model Solvent Contacts (Two Solvents) Model

C60 Molecular Structure


C60

Nutrasweet

Data Structures






Papers

  1. C. Bajaj, V. Pascucci, R. Holt, A. Netravali.
    Dynamic Maintenance and Visualization of Molecular Surfaces
    Fourth issue in the special series of Discrete Applied Mathematics on Computational Molecular Biology (pdf | abstract)

Links

Dynamic Maintenance and Visualization of Molecular Surfaces