AMMRL members,
I would like to announce that new versions of the SpinWorks and
Xsim simulation software are now available. These packages can be used
for the processing of 1D NMR data and the simulation and iterative
analysis of complex spin systems.
SpinWorks is the Windows NT/95/98 (2000?) version. Bug fixes include:
- better automatic detection of Bruker DSP data.
- bug with iteration of negative parameters fixed.
- bugs with the iteration of dipolar couplings fixed.
- and a few other fixes and enhancements.
Xsim is the UNIX version of the software. While I have been
busy with SpinWorks (and other things), Georgy Salnikov at
the Novosibirsk Institute of Organic Chemistry has fixed a few bugs
and added some nice enhancements to Xsim. These enhancements are
included in the version Xsim2000, now on our FTP site. I have included
compiled versions for IRIX, AIX and Solaris, although the Solaris version
doesn't have the latest simulation bug fixes. This is due to problems with
the Sun compilers that I have available to me. However, these bugs are not
likely to bother most users. Georgy also has a Linux version of Xsim.
Please
contact him directly (sge_at_nmr.nioch.nsc.ru) for this.
Our ftp server for the software is:
pauli.chem.umanitoba.ca, and the packages can be found in pub/marat and
pub/marat/SpinWorks.
Documentation is included with both packages,
but can be downloaded separately, if desired.
Kirk Marat, Ph.D., NMR Facility Manager
Dept. of Chemistry and Prairie Regional NMR Centre
University of Manitoba
Winnipeg, Manitoba, R3T 2N2, CANADA
kirk_marat_at_umanitoba.ca
ph. (204) 474-6259, FAX (204) 474-7608
Received on Wed May 10 2000 - 13:00:35 MST