Subject: RE: Molecular Modeling Packages for ALPHA systems

From: [email-masked]
Date: Mon, 27 Mar 1995 09:45:00 -0500

Surprisingly DEC doesn't seem to be pursuing the computational chemistry 
market as vigorously as it had in the VAX and DECsystem days.  Still, there 
are a slew of QCPE programs which have been ported to the DEC Alphas. Also:

DEC Alpha Software  Supplier            Contact
---------------------------------------------------------------------------
<Diverse>           QCPE                [email-masked]
  For info and catalagoue login: anonymous<guest>@qcpe6.chem.indiana.edu

Gaussian 92/DFT     Gaussian Inc.       [email-masked]

Spartan             Wavefunction Inc.   [email-masked]

(?)HyperChem(?)     Hypercube Inc.      (800) 960-1871
---------------------------------------------------------------------------

Note that Gaussian 92/DFT and most of the QCPE software is non-graphical.  
Some programs may not support both Open VMS and OSF/1;  e.g., Spartan only 
supports OSF/1 but Gaussian 92/DFT supports both but is non-graphical.  I'm 
not sure about HyperChem, now from Hypercube Inc. but their software was 
fairly portable and the graphics were X-based.

Good luck!

 _______________________________________________________________________
/                                                                       \ 
| Comments are those of the author and not Unilever Research U. S.      |
|                                                                       |
| Karl F. Moschner, Ph. D.                                              | 
|                                                                       | 
| Unilever Research U. S.      e-mail: [email-masked] | 
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From: [email-masked] (Joel Polowin)
Date: Mon, 27 Mar 95 11:49:51 -0500

> DEC Alpha Software  Supplier            Contact

At the moment, the software that we have for the DEC Alpha is the back-end
modules, which let the heavy number-crunching be off-loaded from the
PC front end to a network-linked UNIX box.  We can work under OSF/AXP 1.2;
under NT or USF but not on a DEC VAX.  (The back-end modules are also
available for SGI Irix 4.0 to 4.0.5F and 5.2, and IBM AIX 3.2.5 and 4.0 .)

Regards,
Joel

Joel Polowin, Ph.D.   Manager, Scientific Support
Email to: [email-masked] 

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