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NMR Software

There are several software options for analysis of NMR-data, both freeware and commercial. We have licenses for TopSpin and MestReNova available.

Main content

For analysis of NMR data from small molecules, users are primarily using TopSpin and MestReNova. TopSpin is the software used for data acquisition, but it is also used for processing and data analysis. MestReNova is only used for processing and data analysis. For publication quality figures most users prefer MestReNova. Both software packages have modules for computer assisted structure elucidation (CASE), but this requires additional licenses.

For analysis for protein-NMR data, have a look at "Other software".

TopSpin

Basic TopSpin processing is now free for academic users. TopSpin, both version 3.6 and 4.0, are available from the UiB Software Center. The software can also be downloaded from Bruker's web page. You need to create an user account at Bruker's site in order to download the software and generate a free license.

If you generate a new license (after March 2019), the free Topspin license will also include a slightly amputated version of the small-molecule structure elucidation module, CMC-se Classroom edition.

Additional modules

TopSpin contains several more advanced modules which require additional licenses. We have a few licenses for CMC-assist, Dynamics Center, and for processing 3D-5D NUS spectra. These licenses are available under the CodeMeter license manager, which means that you need TopSpin 3.6 or newer to use them. 

To use these additional licenses you need to add the UiB license server to CodeMeter: Open the Code Meter Web Admin interfance (http://localhost:22350). Go to Configuration --> Basic --> Server Search List, and add the UiB server "lisens9.uib.no"

Version 3.6 vs. version 4.0

TopSpin is currently developed in two parallel version: 3.6 and 4.0. For processing the differences are mostly cosmetic. Older version does not support the CodeMeter licenses. For acquisition version 4.0 is used on the 600 MHz, version 3.6 is used on the 850 MHz, version 3.x is used on the 500WB, while version 2.x is used on the 500 MHz routine instrument.

MestReNova

MestReNova/Mnova can be downloaded directly from Mestrelab. UiB has licenses for basic NMR, qNMR and, and Reaction Monitoring for Mnova 14.2.0 or older. You can obtain the license files by contacting the NMR staff or from NMR User Forum → MestReNova → Files. From Mestrelab you can also get 45-days demo licenses for other modules.

Once you have acquired the licenses, start MestReNova. If you have no valid license, the registration wizard will open. Install the license files one by one. If the registration wizard doesn't open automatically, you can start it by opening the License Manager (one of tiny icons in the top right corner of MestReNova) and clicking on the shopping cart. 

Note that you need to be connected to the UiB network to activate the licenses.

Other software

  • CcpNmr Analysis is currently the best analysis program when working with 13C/15N-labeled proteins. It is regularly updated with new features.
  • Sparky is a program for assignment of protein-NMR data. It is old, but still developed. The best option when working with unlabeled proteins and peptides.
  • CARA is a third option for protein-NMR data. Development of the program seems to have stopped (last updated i 2016). 
  • NMRPipe is a UNIX-based collection of programs and scripts for primarily used for processing of protein NMR-data.