Software to calculate chemical exchange lineshape

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Are there any modern programs (preferably freeware) that will simulate line broadening in the presence of exchange. Somewhere I have a copy of "DNMR3" (on a 5 1/4 " floppy) and I feel it will be a nightmare trying to get this to work (particularly the graphics output).

chemical-exchange lineshape

asked Sep 18 '09 at 07:16

dstephenson
56

updated Sep 20 '09 at 11:53

Evgeny Fadeev
508●1

3 Answers:

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The SpinWorks program has a graphical interface to both DNMR3 and MEXICO. Modified compiled versions of DNMR3 and MEXICO are both included with SpinWorks. It will run on everything from Windows 2000 to Windows 7, and will run on Macs under Parallels or Bootcamp.

-Kirk

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answered Dec 19 '09 at 07:40

Kirk Marat
523

0	Thanks. The MEXICO program looks good, but it only seems to support windows NT (not XP or vista). link answered Sep 22 '09 at 06:42 dstephenson 56

0	The two programs I know are lineshapekin by Prof. Evgenii Kovrigin and MEXICO by Prof. Alex Bain. link answered Sep 18 '09 at 10:02 Evgeny Fadeev 508●1 updated Sep 18 '09 at 10:02

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chemical-exchange ×7
lineshape ×3

Asked: Sep 18 '09 at 07:16

Seen: 1,938 times

Last updated: Dec 19 '09 at 07:40

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