Subject: HyperChem Reply!

From: [email-masked] (Neil S. Ostlund)
Date: Tue, 31 May 1994 22:28:05 -0400

M. Schriver's recent posting implied that HyperChem 
might give semi-empirical results that are not to be trusted.

I TAKE EXTREME EXCEPTION TO THIS INNUENDO!

Hypercube Inc. includes quantum chemists who do know what they
are doing. We have taken great pains to give the world an easy
to use reliable version of semi-empirical technology.  More QA
(Quality Assurance) time has probably gone into HyperChem than 
any chemistry software package in history.  HyperChem includes 
only published AM1 and PM3 parameters and reproduces the results 
of other programs in a commercial quality code that is easy to 
use and has been thoroughly tested.  We have explicitly not 
generated any of our own parameters because our mandate with 
HyperChem is to make well-defined technology accessible and easy 
to use.  If anyone from our thousands of users knows of a semi-
empirical result from HyperChem that is inconsistent with published 
results, please let us know since we are unaware of any! Also, 
would the chemists who are "familiar with theoretical chemistry" 
and are trashing HyperChem please stand up and be counted.  I will 
stake what scientific reputation I have, including a name on the 
first paper in the literature (almost thirty years ago!) that 
described the INDO method, the basis of almost all of these 
semi-empirical methods, on HyperChem.  I also offer an autographed 
copy of Szabo and Ostlund, "Modern Quantum Chemistry", to the 
first person to report a legitimate error in the semi-empirical 
results coming from HyperChem.

Hypercube Inc. people, who have always had sole responsibility for 
the HyperChem product development, includes five respected and 
experienced Ph.D. quantum chemists.  We stand by our products.
------------
Neil Ostlund
President, Hypercube Inc.
419 Phillip St, Waterloo, Ont, Canada N2L 3X2 
(519)725-4040
internet: [email-masked]