Mol4D: Visualization and interactivity

COMP 99

Jan H. Borkent, C.M.B.I, C.M.B.I, Radboud University Nijmegen, Toernooiveld 1, 6525ED Nijmegen, Netherlands
The Mol4D (“Molecules in four dimensions”) project is an entirely web-based, Chime supported set of teaching modules in (mainly organic) chemistry, with a high level of scripting background to enhance both its functionality and the level of interactivity. The ‘fourth’ dimension in the title refers to its goal to incorporate animations of reactions and conformational changes in a meaningful way into the Chime pages, with a mechanism to control the course of the animation. The interactivity of Mol4D is extended with a molecule editor, which turns the web pages into an input and output computational interface. Also this editor supports the fourth dimension, insofar that it allows for the definition of a reaction path or conformational change by the user, and offers interactively (within one or two minutes) a web page with a clickable energy plot, a Chime based and controllable animation of the process and a text area with the pertaining numbers.