free exchange software
Alex Bain (bain@mcmail.CIS.McMaster.CA)
Mon, 25 Mar 1996 14:49:13 -0500 (EST)
Dear Bummers,
I have put test versions of programs for slow and intermediate
exchange on bloch.cchem.berkeley.edu, in the directory pub/nmr/mex. The
source code and the manual (in various formats) are in separate tar files
for the two programs.
One program is called MEX, for simulation of exchanged-broadened
lineshapes for uncoupled spin systems. It is designed to write out an
XWINNMR data files, which is then compared to the real data using dual
display. The algorithm is based on JMR 112A, 258-260 (1995).
The other program is called CIFIT, and is designed to analyse
selective inversion experiments (Hoffman-Forsen) for slow chemical
exchange. The program and its application are described in JMR 118A,
21-27 (1996).
The programs are written in fairly vanilla C, and are all
self-contained in a single source file. Please let me know if (when!)
problems arise.
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
Hamilton, Ontario CANADA
L8S 4M1