VRML Plot of a
Mopac7 Output Structure

Brian T. Luke, Ph.D.

[email protected]
To generate a VRML plot of a Mopac7 output structure, you need to type in the name of this output file in the top box and make sure that Mopac7 Output is selected as the Format. In this example, the supplied output file Si2H2a.MOPOUT is used. (Note that this is a Mopac7 Output file, not an Archive file.) Therefore, the initial VRMol window will look like this.

Once this is entered, you should click on the [Apply] button. Another dialog window appears asking you for the type of plot you want. Your choices are

  1. Ball and Stick
  2. CPK
  3. Rods

In this example we will construct a CPK plot. This option should be selected from the pull-down menu so that the window looks like the following:

When you click the [Apply] button, VRMol writes the file Si2H2a.MOPOUT.CPK.wrl to disk. If you had selected Ball and Stick or Rods plot, VRMol would have created Si2H2a.MOPOUT.B-S.wrl or Si2H2a.MOPOUT.Rods.wrl, respectively.

To see this VRML image from a browser that supports a VRML Plug-in, simply click on Si2H2b.MOPOUT.CPK.wrl.

Unfortunately, browsers under AIX do not support such a plug-in, and you will have to examine this structure using another product. A few are available, and for ease of use I would recommend an older viewer called VRWeb. For further information, please consult Installing and Using VRWeb.

� 1999 Brian T. Luke, Ph.D.