WebMO Help - Building Molecules Overview

WebMO 3-D Editor

WebMO contains a built-in 3-D molecular editor to create molecular structures for use in subsequent calculations.

Atoms and bonds are created by clicking and dragging the mouse with the build tool. One also drags the mouse to rotate and zoom with the view tool.

WebMO knows Lewis and VSEPR theory. When creating a molecule, only backbone atoms need be entered. WebMO can the automatically add all hydrogen atoms and make reasonable approximations for all bond lengths and angles using clean-up. The precise dihedral conformation of the molecule can be specified with the adjust tool, if necessary.

The WebMO editor allows one to work with groups of atoms, by inserting pre-defined fragments and by manipulating selections of the molecule.

Invoking the WebMO Editor

From Job Manager, click New Job or New Job:Create New Job to open the Build Molecule page with 3-dimensional WebMO Editor.

Build Molecule Page Layout


WebMO 3-D Editor

Common operations are available on the toolbar (). Help is displayed on the status line ().

The main components of the Build Molecule page are:

Editor Help

Ways to get help include: