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_ N_______What is Molecular Modeling?_______
    
 Table of Contents
 • Introductory Comments
 •What is Molecular Modeling?
 • Why is Molecular Modeling Important?
 •What do some common molecules look like?
 •Where's the Math?
 •Carbon 3 Ways
 • Carbon Compounds
 •Water and Ice
 •Water and Ice pt.II
 • How to view structures in class or at home
 • MathMol Library of Structures.
 •Tutorial 1: 1-Dimension, 2-Dimensions, 3-Dimensions...
 •Tutorial2: The Geometry of 2 Dimensions..
 •Tutorial3: The Geometry of 3- Dimensions
 •Tutorial4: The Geometry of Molecules.
 •Appendix1: Scientific Notation
 • Appendix 2: Mass
 • Appendix3: Volume
 • Appendix4: Density



 

Molecular Modeling, is one of the fastest growing fields in science. It may vary from building and visualizing simple molecules (in 3-Dimensions) to performing complex computer simulations on large protein molecules. Using various molecular modeling software, one can visualize, rotate, manipulate, and optimize models on a computer display. Although some calculations can be performed in a few seconds other calculations on molecules, using even the largest computers, can take weeks or months to complete.

The software package shown below is called Mage --the image shown is that of C-60, also known as a Buckyball or fullerene molecule. We will discuss more about this molecule in another section (See Carbon 3 ways) .

The software package Mage allows the user to visualize and rotate the molecule in 3-D. It also has tools that allow the user to measure distances and angles.

 To rotate object hold left mouse button down and slide cursor arrow over object

On the next page is a picture of a protein molecule surrounded by water molecules....

Go to Part 2...

 




Questions or Comments?