Thanks to all who responded! I hope to try out one of the programs soon.
Below is my query, followed by a summary of responses.
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Edward T. Chainani Nuclear Magnetic Resonance Laboratory Manager
National Chemistry Instrumentation Center (NCIC)
Ateneo de Manila University phone: (632) 426-6001 loc. 5629
Loyola Heights, Quezon City e-mail: etch_at_ginto.chem.admu.edu.ph
Philippines FAX: (632) 426-5985
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Question:
Anyone out there know of a good "spin simulation" program? (I wonder if
this is the right name?) I would like to simulate the "dance" of the
nuclei as one applies RF pulses. I'm only interested in looking at the
vector model, and I'd like to see how errors in tip angles accumulate for
a particular pulse sequence.
Summary of responses:
Gamma is great. Can be fouond at www.gamma.magnet.fsu.edu.
It takes some time learning however.
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I think Eugenio Alvarado's programme "Spin System Simulator" is what
you're looking for, this is available from:-
ftp://bloch.cchem.berkeley.edu/pub/nmr/mswin
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have a look into my server (www.nmr.de). There is a large amount
of educational software. In a first attempt I would recommend
PENCIL and sss.
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There are many packages available. If U are looking for a
simple response after one hard pulse then the PANIC (from bruker) and
something similar in Varian should work. If you are looking for a 2D
experiment then packages like SMART from (Prof. Ernst Group) and Gamma
(again From Ernst group) can be employed. They will be able to handle
any evolutions except for gradients.
There was a package from Prof. Waugh's group called Antiope which
also can handle spin systems without gradient evolutions.
Received on Wed Oct 04 2000 - 08:50:40 MST