If you help me compile a survey of what NMR analysis software is available,
I will post the results.
The primary goal is to make a factual list, but any experience with the
strengths and limitations of each package would add value.
(My motivation is we are about to undertake high-throughput NMR of
combinatorial chemistry samples, and are looking to automate as much of the
analysis as possible. Advice from anyone who has done this is especially
welcome!)
-- A questionnaire:
What software do you use for predicting the NMR spectrum, given a structure?
What tools do you know to help derive a structure, given a spectrum?
What data do you feed it and what data does it return?
How long did it take to learn to use it?
Does it do well? What are its limitations? (How many atoms?)
How much does it cost? (Is that academic or commercial price?)
Are there any other programs you are aware of you would like to see in the
survey?
Thanks in advance to all who can help.
-- Roger
Received on Mon Feb 26 2001 - 16:12:28 MST