Building a Simple Ligand


This tutorial will walk you through the construction of a simple ligand within the CAChe model construction screen. A set of step by step instructions will be given, with links to screens that show you this process in a stepwise manner. To use this tutorial, open up both a Netscape window and a CAChe window within Windows 95. This will give you two items on your menu bar, a CAChe icon and a Netscape icon. This will allow you to easily switch between the two screens so you can construct you molecule step by step within the CAChe system as you are guided by these tutorials. To switch between these two applications, just click on either the CAChe or Netscape icon on your menu bar to put that screen on top. This method makes switching applications faster since you do not have to reopen the applications each time.
This tutorial consists of two excercises:
  • Construction of a Simple Ligand
  • Modification of a Simple Ligand

    Main CAChe Molecular Modeling Page

    Overview of the CAChe screen
    Building a Ligand
    Building a Metal Complex
    Examples of Chemical Information
    Molecular Mechanics Energy Minimization
    Huckel MO Calculation
    ZINDO Calculation
    MOPAC Calculation
    Molecular Dynamics

    This is a series of molecular modeling tutorials developed by Karen J. Brewer for use in the Chemistry Department at Virginia Tech to assist students with utilization of the CAChe molecular modeling package version 3.9 on a SGI workstation using IBM clients Satellite for Windows 95 version 3.0.

    This page is maintained by Karen J. Brewer