Welcome to the CAChe Molecular Modeling Tutorials

Department of Chemistry

University of Pittsburgh at Johnstown

Home
Getting Started
The Basics of CAChe
The User Interface
Simple Molecules
Inorganic Molecules & Ions
Organic Molecules
The Fragment Library
Viewing & Manipulating
Computing Properties
Optimizing Geometry
Molecular Orbitals
Spectral Properties
Predicting Reactivity
Energy Maps
General Chemistry
Ferrocene

Building Simple Molecules

Goal:

In this tutorial module you will learn how to build some simple molecules using the atom and select tools.  In particular, you will learn to:

bulletBuild an water molecule
bulletBuild a methane molecule
bulletModify the methane molecule to make ethane and butane

You will want to save each molecule you build in this tutorial.  You will use them in future tutorials.  You may find it helpful to create a folder called "Molecules" and store all of the molecule files there.  It will be much easier to find them later.

You can apply these principles you learn in this tutorial to build most other molecules.  The two modules that follow this one will show you how build and modify inorganic molecules and ions and how to build and modify organic molecules.

Once you have built a few molecules, you can explore the various ways of viewing and manipulating structures. Then you can optimize the geometry and compute some properties.

Total time: 10 minutes

Begin by building water.