I am planning a couple of NMR courses here for 3rd and 4th year (university)
students, and would like to hear if you have any suggestions about suitable NMR
software. I thought I would have some labs, or demos, demonstrating various
concepts of NMR (such as spectral simulation, pulse program simulation, spin
operators,etc). Unfortunately, the computer-lab here for students has only PCs,
which will (mainly) restrict me to software for windows or msdos.
So what is available, and what experiences do you have in teaching NMR using
computer simulation? Any suggestions, suitable problems, excercises, methods, or
ideas would be greatly appreciated. *NB, I'm in principle also interested in
similar software for Mac.*
This is what I have:
* 'Raccoon' - for simulation of spectra of up to a few spins. This is for msdos.
I have no documentation (although it is pretty easy to use), but someone said it
was obtained from project Seraphim. However, I have not seen it mentioned there
(on their gopher) when I looked for an updated version, for *windows*. Does
anyone have any further information about this program?
* 'NMR Spin System Simulation' - for a graphical simulation of pulse-sequences
(two spins - homo or hetero) with graphical views of populations and the density
matrix. A nice graphical implementation for windows. The name is abbreviated
'sss'.
* 'Product Operator Simulation for Two Spins' - a text based program (msdos - or
windows?) which generates a graphical view of the spin operators at the end of
each step during a pulse program. The name is abbreviated 'PROST'. Works with
SoftPC on the Mac.
Well, that's the NMR pc-software I know of - there must certainly be a lot more?
Anything else around that could be suitable?
We have WinSim from Bruker (for up to 6 spins I believe), but that is restricted
to one user presently, because we need a 'dongle' for each machine. Otherwise it
would perhaps be good to use this program for teaching.
Would the program GAMMA be of use? I have only seen it mentioned somewhere.
I have the 'Product Operator' Mathematica notebook by John Shriver for Mac.
Perhaps this is available for, or portable to, PC-windoze. But then we would
need a Mathematica licence for the student labs. I suppose that Mathematica
would be very useful in demonstrating windowing functions, the 'sound of FID',
etc? Anyone using it?
73, Peter
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| Peter Lundberg Ph: (+46 90) 16 59 73 |
| Phys Chem, U of Umea Fax: (+46 90) 16 77 79 |
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