Monday, November 06, 2006


I have extracted the following dialog from the vault where it was hidden and forgotten. Before you read it, let me establish the undisputed facts:

  • The last version of SwaN-MR shipped in 2001, while iNMR 1.0 shipped in 2006. There is no connection between the two programs.
  • iNMR has been written from scratch, just like SwaN-MR. Like "La Traviata" and "Aida" they have been written by the same hand, so you can recognize a common style in the two opuses. Style is a positive quality.
  • SwaN-MR has not been replaced. It still works perfectly, as ever since 1994.
  • "NMR Guy" compares iNMR with VNMRJ and TopSpin, and says that the former is not cheap. At the price of a single license of VNMRJ you can buy 12 copies of iNMR. At the price of a single license of TopSpin you can buy 30 copies of iNMR. I am speaking of the latest version (1.5), but there is also version 0.7, offered at 50 euro.
  • The nearly 300 iNMR users are all enthusiast about it, for the simple reason that they could evaluate it before buying. Most of the VNMRJ and TopSpin users had no choice, because the programs come with the respective instruments.
  • There must be a reason why somebody, already owning VNMRJ or TopSpin, invests a few bucks in iNMR. Probably something related to quality...

NMR Guy 02-09-2006, 01:06 AM
A version of the processing module for VNMRj is available for OS X. To be honest, if you are serious about NMR, get the Varian VNMRj OS X version... or x-windows in to VNMR/VNMRj (Varian) running on Solaris or Linux, or TopSpin (Bruker) running on Linux. BTW Not sure what the deal with iNMR and SwaN-MR is. Looks like SwaN-MR (freeware/registerware) has been taken down completely and replaced with this software, which is not all that cheap.

bazzler 02-10-2006, 05:56 AM
I am a mac-using organic chemist. Until now, there has never been an app for nmr reprocessing app for OSX that was powerful and userfriendly. iNMR is intuitive to use and pleasing to the eye, very much in the way as one would expect from an Apple application. It performs many (including all of the important and critical) functions of the existing nmr reproc. solutions, and gives the output i want with the minimum of effort. I cannot recommend highly enough this elegant and powerful program to anyone involved with NMR, regardless of their computing background. I am not alone in my praise either, their are several mac - chemists in the department where i work , and like me they were all blown away with the excellence of this software. The mac is somewhat of a forsaken child in the world of chemistry, particularly with 3rd party apps; the author should be commended for daring to invest his time and effort with this gem of a program. If youre an organic chemist, give it a go and spread the word; you wont be disappointed.


At 1:22 PM, Anonymous Holfelder said...


Do you know of any good software/program that can calculate the predicted J coupling from PDB structures ?

Any help would be appreciated

At 1:49 PM, Blogger old swan said...

I know a program that calculates the J from the dihedral angle. If you find a way to measure this angle from those structure...


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