Subject: Re: CCL:M:about HyperChem and Mopac

From: [email-masked] (Joel Polowin)
Date: Wed, 17 Apr 96 12:13:39 -0400

> Date: Fri, 12 Apr 1996 14:16:25 -0300
> From: "Jose Santiago Duca (h)" <[email-masked]>
> 
> I have just a little question about HyperChem, since I am not too much
> familiarized with this package, but with Ampac and Mopac.
> Is there any possibility of reading the Am(Mo)pac density matrix with
> HyperChem in order to avoid a single point calculation each time I need
> to work with spin or charge surfaces plots? 
> I suspect the answer is affirmative (via using a script file, maybe),
> but I don't know how to handle it, so could anybody help me, please?

I think that it would be possible, in principle, to process such a density
matrix so that it could be read by HyperChem for SGI or by ChemPlus for
Windows (the Molecule Presentations module).  In either case, the data
would be included in a .HIN-format file.  However, I have not heard of
anyone having set up a process to do that conversion for Ampac or Mopac
data.  (The HyperChem for SGI package includes such a process to read 
Gaussian grid data.)  It is not possible to import such information to 
HyperChem for Windows.

Joel
 
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