Mathematica 9 is now available

Wolfram Library Archive


All Collections Articles Books Conference Proceedings
Courseware Demos MathSource Technical Notes
Title Downloads

Dynamic 3D Molecular Model with nVizx
Author

Bary Wilson
Organization: Splinex Technology Inc.
Revision date

2005-03-25
Description

Mathematica is used to generate 3D spacefill and stick and ball models of molecules that can be manipulated in real time with nVizx.

In this example, the cisplatin molecule is generated in both stick and ball and spacefill models. Cisplatin was selected for this example because it is a relatively simple molecule that illustrates the profound effect isomeric structure can have on biological activity. The cis isomer shown here is an effective anti-cancer agent. The trans isomer has essentially no anti-cancer activity.

This simulation requires a free download of Splinex nVizx for dynamic viewing. A hyperlink to http://www.splinex.com/ is contained in the notebook text.

Note: This release is for the Windows platform only.
Subjects

*Engineering > Chemical Engineering
*Mathematica Technology > Programming > 3D Graphics
*Science > Chemistry
Keywords

3D molecular model, dynamic visualization, isomeric structure, chemistry, cisplatin
Related items

*3D Double Pendulum: Mathematica-Driven Simulation in nVizx   [in MathSource: Packages and Programs]
URL

http://www.splinex.com/
Downloads Download Wolfram CDF Player

Download
3DMolModelvzx.nb (289.3 KB) - Mathematica Notebook [for Mathematica 5.1]