Re: CCL:W:gOpenMol and Gamess MO plotting

["Fco. Javier Modrego" <modrego/at/unizar.es>]

 At 01:11 -0400 3/6/05, Gustavo, , Mercier wrote:
>  Hi!
> I am interested in plotting MO's computed using GAMESS-US. I've
>  tried several programs with limited succes (molden, molekel,
>  orbdraw) and now I am trying gOpenMol.
> Looking at the manual etc I need to generate a cube file that will
>  be converted to the plt format read by gOpenMol using a plugin.
>  However, it is not clear to me how to generate the cube file using
>  GAMESS-US.
>  
Look at the keyword PLTORB in the $CONTRL section of the Gamess'
 manual, then as stated in the gOpenMol pages, use Gamess2plt to
 convert a Gamess "cube" PUNCH file to a plt file. Otherwise
 if you
 can use a Mac , the program MacMolPlt is the easiest way of doing
 what you need.
 I hope this can help you,
  Dr. F.J. Modrego
  Department of Inorganic Chemistry
  Facultad de Ciencias
  University of Zaragoza
  50009 ZARAGOZA
  SPAIN
  Tel <34>-976-762288
  Fax <34>-976-761187
  E-mail:  modrego/at/unizar.es