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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...

 


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