Tagged questions

How do you determine error on the peak position?

2 0 8k
answers votes views
Hello, could anyone suggest a method to determine error (maybe standard deviation or some other estimate) of a peak posi...
Posted: Evgeny Fadeev 5771 / Updated: sekhar Talluri 621 Mar 14 '10 at 08:46

How to create synthetic procpar files for VNMRJ?

2 2 5k
answers votes views
Hi guys : Im trying to make a procpar for an FID, I know most of the parameters of importance, and have the schema of th...
Posted: j 131 / Updated: David Horita 31 Nov 09 '12 at 06:43

MODULE for RDC

2 1 4k
answers votes views
I'm trying to analyze my RDC data using Module. But I'm using a crystal structure instead of NMR. Can somebody pls advis...
Posted: shub 31 / Updated: Evgeny Fadeev 5771 Jul 28 '10 at 11:09

software for 1D-2D spectra assignment for small molecules

2 1 4k
answers votes views
Please advice good software for 1D and 2D spectra assignment and structure elucidation, for small organic molecules. I'm...
Posted: VVK 61 / Updated: Evgeny Fadeev 5771 May 23 '11 at 10:54

ACD/NMR vs. MestReNova calculation difference

2 0 3k
answers votes views
Hi there, how is possible that peak area calculated by ACD/NMR is lower than the same one calculated by MestReNova soft...
Posted: Frantisek Surman 1 / Updated: Kirk Marat 711 Jun 20 '12 at 13:45

simulation software for small molecules, liquids

2 0 2k
answers votes views
Hi all, i'd like to hear some experiences you folks had on this theme. I wanna by a program for that. Just googling for...
Posted: fid 139 / Updated: ehaapani 1 Oct 07 '13 at 01:11

useful commands in sparky

1 1 5k
answers votes views
I'd like to learn basic use of sparky, could you recommend something to start with? ...
Posted: Novelle 11 / Updated: Evgeny Fadeev 5771 Nov 18 '09 at 14:32

How to display NMR structure of molecule with non-standard residues?

1 0 7k
answers votes views
... solving a structure of a cyclic peptide with Ornithine residue, where Orn side-chain participates in an amide bond. ...
Updated: Evgeny Fadeev 5771 Feb 02 '10 at 08:59

What software can do relaxation matrix analysis of NOE?

1 0 5k
answers votes views
Hello, could you suggest software to conduct proper relaxation matrix analysis of NOE? Is it available anywhere on the ...
Posted: Evgeny Fadeev 5771 / Updated: sekhar Talluri 621 Feb 13 '10 at 12:43

Is it possible to run nmrPipe on Microsoft Windows?

1 0 5k
answers votes views
Hello, I'd like to be able to run nmrPipe on windows - under cygwin or something like that. Has this been done before? ...
Posted: Evgeny Fadeev 5771 / Updated: uab_nmr 46 Feb 26 '10 at 04:54
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