Dear Bummers,
I have just released the latest version of MEXICO - the program to
calculate lineshapes for dynamic NMR. It is a much-improved version of the
previous release, and it includes some new features. The old version
worked only with Bruker's XWINNMR file format, whereas the new one will
handle text-based spectra as well. The text version is available for
Windows, as well as for UNIX. Secondly, in preparation for the iterative
version, this release includes a way of calculating the goodness-of-fit
with an experimental spectrum, so that the user can do a manual
iteration. If you want to download the program, it is available through my
web site.
The iterative version is working now, and after a bit more testing, it
will be released.
Alex D. Bain email: bain@mcmaster.ca
Department of Chemistry phone: (905) 525-9140 ext 24524
McMaster University fax: (905) 522-2509
1280 Main St. West http://www.chemistry.mcmaster.ca/faculty/bain
Hamilton, Ontario CANADA
L8S 4M1
This archive was generated by hypermail 2b29 : Mon Jan 21 2002 - 18:08:05 PST