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

The Tool Bar in CAChe is similar to the tool bar in most other software.  Some of the buttons do the same thing; others are specific for CAChe Commands. You can further explore the actions of the individual buttons at this web site.

These buttons are just like the buttons on your word processor tool bar. Use them to start a new file, open an existing file and save a file.
Use the cut, copy and paste buttons to make changes to your molecular structure
The print button will give a hard copy of your molecular structure.  The help bring up the CAChe Help screen. Click on the Help Pointer button, then point to any area of the CAChe screen and CAChe Help information concerning that specific topic will pop up.
These buttons relate to CAChe Experiments.  Use the first one to set up an experiment. The second one gives you information about experiments in progress and the third one provides information about the server where the experiments are running.

Use the Connect Atom button to connect two (previously selected) atoms with a bond.

Use the Define Geometry Label button to display a geometry label for selected atoms: the distance between two atoms, the bond angle for three atoms and the dihedral angle of the atomic bonds given four atoms.

Use the Beautify Comprehensive button to check and adjust the valence, hybridization and geometry of the selected atoms. This may result in unexpected and sometimes unwanted modifications of your chemical structure. 
Use the Fit to the Window button to scale the items selected in the chemical sample window so they will fit in the window. Use this command to zoom in on a particular portion of your molecule or to fit your entire molecule on the screen.
Use the Edit Position button to change the position of only selected atoms. You can move a portion of the atoms in the chemical sample window with respect to the rest of the atoms.
This set of buttons changes the display type of the atoms in your molecule.  There are four options: Lines only, Lines, Ball & Cylinder and Space Filling.

This is the last segment in this module on the User Interface.  In the next series of modules you will learn how to Build and Modify  Molecules.

Move forward to learn how to Build and Modify  Molecules.

Move backward to the Style Bar.