Subject: Announcement of HyperNMR

From: [email-masked] (Graham Hurst)
Date: Thu, 23 Jun 1994 17:21:26 -0400

This is a commercial announcement following CCL rules (i.e. <=25 lines).

Hypercube Inc. is pleased to announce HyperNMR, a software package for the a
priori prediction of one-dimensional proton, C13, N15, F19 or P31 NMR spectra
for molecular systems involving the elements hydrogen through argon.

HyperNMR can load a molecular system from a Z-matrix file or HIN file.  It does
not require HyperChem, but systems can also be loaded directly from HyperChem.
The system can be displayed several ways, including shaded ball & stick.

NMR calculations occur in two steps.  The first computes magnetic shielding and
nuclear spin coupling constants for any selected nuclei, using semi-empirical
quantum mechanics.  Accuracy is improved over traditional semi-empirical
methods through the use of atom "types" instead of elements, as in molecular
mechanics.  The second step calculates NMR frequencies and intensities from the
results of step one (or from user-specified shieldings and couplings).
HyperNMR results, in tabular or graphical form, can be copied into other
Windows applications via the Windows clipboard.  The algorithms implemented
in HyperNMR greatly reduce the computational time compared to earlier a priori
methods and offer a tool for predicting NMR parameters and spectra for
molecules from small organic systems to subsets of proteins.

HyperNMR is a program for Microsoft Windows, requiring at least a 386 with
math chip and 4 MB RAM.  The list price is US$ 995 (US$ 695 academic and
government).  For more information, send email to [email-masked].
------------
Graham Hurst ([email-masked])
Hypercube Inc, 7-419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040
Info requests to: [email-masked]    Support questions to: [email-masked]
Email group: Send "subscribe hyperchem" to [email-masked]