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nmrglue specifications


Unique identifier OMICS_23641
Name nmrglue
Software type Package/Module
Interface Command line interface
Restrictions to use None
Input data A NMR file
Operating system Unix/Linux, Mac OS, Windows
Programming languages Python
License New BSD Licence
Computer skills Advanced
Stability Stable
NumPy, SciPy
Maintained Yes




No version available



  • person_outline Jonathan Helmus
  • person_outline Christopher Jaroniec

Additional information

http://nmrglue.readthedocs.io/en/latest/index.html https://github.com/jjhelmus/nmrglue/wiki

Publication for nmrglue

nmrglue citations


N,N Diethylmethylamine as lineshape standard for NMR above 130 K

PMCID: 5821130
PMID: 29335163
DOI: 10.1016/j.jmr.2017.12.021

[…] angle setting had to be adjusted after cooling the probe, see . additional pulse sequence parameters are included in the figure captions. spectra were plotted and analyzed using python with the nmrglue [], lmfit [] and emcee [] packages., we searched for a compound with a low melting temperature, in the hope that it would provide narrow linewidths in a liquid phase. after excluding […]


Species dependent structural polymorphism of Y145Stop prion protein amyloid revealed by solid state NMR spectroscopy

Nat Commun
PMCID: 5622040
PMID: 28963458
DOI: 10.1038/s41467-017-00794-z

[…] nhmfl, . all nmr experiments were carried out at magic angle spinning frequency of 11.111 khz and effective sample temperature of 5 °c. nmr data were processed in nmrpipe and analyzed in sparky and nmrglue., further data and data sets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request., , electronic supplementary […]


RNA structure refinement using NMR solvent accessibility data

Sci Rep
PMCID: 5511288
PMID: 28710477
DOI: 10.1038/s41598-017-05821-z

[…] nmr spectra were processed with the nmrpipe software package. peak positions from literature were transferred using ccpnmr analysis and peak intensities of well-resolved peaks were obtained using the nmrglue python package. peak intensities of the pseudo-3d experiments were fitted to an exponential recovery function according to equation ():1\documentclass[12pt]{minimal} \usepackage{amsmath} […]


Unraveling self assembly pathways of the 468 kDa proteolytic machine TET2

Sci Adv
PMCID: 5384809
PMID: 28435872
DOI: 10.1126/sciadv.1601601

[…] phase and receiver phase in sofast–methyl–hmqc (heteronuclear multiple-quantum coherence) was alternated between subsequent experiments ()., spectra were processed and analysed using nmrpipe () and nmrglue () module of the python programming language (). two succeeding spectra (1 and 2, 2 and 3, 3 and 4,…, n − 1 and n) along the kinetic time were added before processing of 2d kinetic planes. […]


Reconstruction of non uniformly sampled five dimensional NMR spectra by signal separation algorithm

J Biomol NMR
PMCID: 5504137
PMID: 28243768
DOI: 10.1007/s10858-017-0095-8

[…] processing software used is available free of charge at http://nmr.cent3.uw.edu.pl/software. all spectra were inspected using the sparky program (goddard and kneller) and manually pick-peaked. nmrglue python package was used for visualization purposes (helmus and jaroniec )., for the hn(ca)conh experiment (kazimierczuk et al. ), a pulse sequence with a watergate block (piotto et al. ) […]


Segmental Isotope Labelling of an Individual Bromodomain of a Tandem Domain BRD4 Using Sortase A

PLoS One
PMCID: 4851411
PMID: 27128490
DOI: 10.1371/journal.pone.0154607

[…] to the ratios given by markley et al. []. nmr spectra were processed using nmrpipe [] and analysed in ccpnnmr analysis v2.1.5 []. figures containing nmr spectra were created using the python based nmrglue program []., s. aureus sortase a-mediated ligation occurs between two polypeptides, where one contains a lpxtg recognition sequence motif within a few residues from the c-terminus [, ], x […]

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nmrglue institution(s)
Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH, USA
nmrglue funding source(s)
Supported, in part, by the National Science Foundation (CAREER Award MCB-0745754), the National Institutes of Health (R01GM094357), the Camille and Henry Dreyfus Foundation (Camille Dreyfus Teacher-Scholar Award) and Eli Lilly and Company (Young Investigator Award).

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