We present NMRlib, a suite of jython-based tools designed for Bruker spectrometers (TopSpin versions 3.2–4.0) that allow easy setup, management, and exchange of NMR experiments. A NMR experiment can be set up and executed in a few clicks by navigating through the NMRlib GUI tree structure, without any further parameter adjustment. NMRlib is magnetic-field independent, and thus particularly helpful for laboratories operating multiple NMR spectrometers. NMRlib is easily personalized by adding, deleting, or reorganizing experiments. Additional tools are provided for data processing, visualization, and analysis. In particular, NMRlib contains all the polarization-enhanced fast-pulsing NMR experiments (SOFAST, BEST, HADAMAC,…) developed in our laboratory over the last decade. We also discuss some specific features that have been implemented to make these experiments most efficient and user friendly.
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We thank Sergio Gil Caballero for his contributions during the early stages of the NMRlib development, Ewen Lescop for contributing the 2D ASCOM script, as well as Bruker BioSpin for financial support. This work used the NMR and isotope labeling platforms of the Grenoble Instruct center (ISBG; UMS 3518 CNRS-CEA-UJF-EMBL) with support from FRISBI (ANR-10-INSB-05-02) and GRAL (ANR-10-LABX-49-01) within the Grenoble Partnership for Structural Biology (PSB).
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Favier, A., Brutscher, B. NMRlib: user-friendly pulse sequence tools for Bruker NMR spectrometers. J Biomol NMR 73, 199–211 (2019). https://doi.org/10.1007/s10858-019-00249-1
- Protein NMR
- Pulse sequence