Overview of DRAWMOP

Brian T. Luke, Ph.D.

   

DRAWMOP is an interactive program reads a Mopac7 output file (i.e. the *.MOPOUT file) and creates 3 PostScript files that show the molecule as viewed down each of the Cartesian axes.

The program will first ask you

 

If the program is not able to find this output file, the program displays the message

 

The program reads the Mopac7 output file and tries to find the final, optimized geometry. If it is unable to do so, you will see the message

 

and the program stops. If the optimized geometry is found, you will be asked

 
 
 
 

If you want to generate a picture for a presentation and/or publication, you may want atomic symbols added to the picture, and you should respond with a 1. Conversely, if you plan to run the program MAKMULT, you will want atom numbers included on the plots, and you should respond with a 2.

If the Mopac7 output file is named test1.MOPOUT, for example, this program generates 3 PostScript files named test1.v1.ps, test1.v2.ps and test1.v3.ps which show the molecule as seen down the x-, y- and z-axes, respectively. These files can be printed on a PostScript printer or displayed on your screen. Under AIX, this is done using ghostview, which also requires the program ghostscript. Both of these programs are freely available from the UCLA server.