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Simple, cost effective, and useful. Meeting all criteria is a tall order. For years I have used SYBYL. However, the current version of Spartan contains many of the tools that one needs for a structure determination from NMR constraints. Warren Hehre plans to add more features to the next version. Therefore, I would recommend Spartan.
Wayne E. Steinmetz Carnegie Professor of Chemistry Woodbadge Course Director Chemistry Department Pomona College 645 North College Avenue Claremont, California 91711-6338 USA phone: 1-909-621-8447 FAX: 1-909-707-7726 Email: wsteinmetz~at~pomona.edu WWW: pages.pomona.edu/~wsteinmetz
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Greetings CCL’ers:
I was wondering if any of you were willing to share your expert opinion on the type of minimal and hopefully rather inexpensive software set-up needed to solve NMR solution structures (including visualization). I’m currently using MOE which I really like for all my modeling needs but it really has too many bells and whistles for just the NMR structure determination that we want to accomplish now.
I do understand that there exist many algorithms to solve NMR structures – many of which are “free” to non-profit organizations - and I do not want to embark on a discussion of how and which software is better. I simple want to see if there is a -AatT- simple -AatT- cost-effective NMR structure determination set-up for commercial organizations.
If any of you offer such solutions, please do not hesitate to contact me as I am interested. Again many thanks to the community for the immense help,
APM
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