User`s guide

4. Visualizing Results
A. Molecular Geometry
After the Job Manager indicates that a job has successfully completed, clicking the corresponding
View button (
) will display the job results in graphical and tabular form.
At the top of the job results page is the job number, title, calculation type, and computational
engine.
The final molecular geometry is shown in a 3-D display. The molecule can be rotated (
),
translated (
), and zoomed ( ) by clicking the appropriate toolbar button and dragging the
mouse as described in the WebMO Editor section. Clicking select (
) on the toolbar and then
selecting 2, 3, or 4 atoms will display the corresponding bond length, bond angle, or dihedral
angle in the status line. Clicking preferences (
) on the toolbar allows the atom size, bond size,
background color, and atom label to be customized.
3-D Display of Molecular Geometry
Below the 3-D display are buttons to accomplish the following tasks:
• Job Manager: Return to the Job Manager
• New Job Using This Geometry: Go to the Build Molecule page and display the
current molecule
• Raw Output: View the output file produced by the computational engine
38