A new release of the Xsim NMR simulation and analysis package is now available.
This package will perform iterative and non-iterative simulation of very
large spin systems and has a Motif-based user interface. Experimental
spectra can be imported in UXNMR, DISNMR and DISMSL formats.
XwinNMR spectra should also work, but this has not been tested.
(Can anyone give me feedback on this?)
New features include a spin system editor (no need to bother with
nummrit input files!), a file browser for experimental spectra and
some new automatic assignment features. Complete documentation in
PostScript is also included.
The package may be obtained by anonymous ftp from:
pauli.chem.umanitoba.ca in the directory /pub/marat.
The file is xsim.tar.Z. If you are using a Sun Sparc under
SunOS 4.1.x, then you may also want xsim.sunos.Z. The solaris version
is included in the main distribution.
The package is currently being distributed for free, but a host-based
password is required for the program. This gives me a handle on who is
using it. These passwords are easily obtainable from me by
email.
Versions are available for SGI, IBM RS6000, HP 9000, and Sun Sparc
computers.
-Kirk
-- Kirk Marat, NMR Facility Manager | barf [ba:rf] 2. v.i. "He Dept. of Chemistry / Prairie Regional NMR Centre | suggested using FORTRAN, Winnipeg, Manitoba, R3T 2N2, CANADA | and everybody barfed." ph: (204) 474-6259, FAX: (204) 275-0905 |