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Bioinformatics. 2015 Apr 15;31(8):1325-7. doi: 10.1093/bioinformatics/btu830. Epub 2014 Dec 12.

NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy.

Author information

1
National Magnetics Resonance Facility at Madison, Biochemistry Department, University of Wisconsin-Madison, Madison, WI 53706, USA.

Abstract

SPARKY (Goddard and Kneller, SPARKY 3) remains the most popular software program for NMR data analysis, despite the fact that development of the package by its originators ceased in 2001. We have taken over the development of this package and describe NMRFAM-SPARKY, which implements new functions reflecting advances in the biomolecular NMR field. NMRFAM-SPARKY has been repackaged with current versions of Python and Tcl/Tk, which support new tools for NMR peak simulation and graphical assignment determination. These tools, along with chemical shift predictions from the PACSY database, greatly accelerate protein side chain assignments. NMRFAM-SPARKY supports automated data format interconversion for interfacing with a variety of web servers including, PECAN , PINE, TALOS-N, CS-Rosetta, SHIFTX2 and PONDEROSA-C/S.

AVAILABILITY AND IMPLEMENTATION:

The software package, along with binary and source codes, if desired, can be downloaded freely from http://pine.nmrfam.wisc.edu/download_packages.html. Instruction manuals and video tutorials can be found at http://www.nmrfam.wisc.edu/nmrfam-sparky-distribution.htm.

CONTACT:

whlee@nmrfam.wisc.edu or markley@nmrfam.wisc.edu

SUPPLEMENTARY INFORMATION:

Supplementary data are available at Bioinformatics online.

PMID:
25505092
PMCID:
PMC4393527
DOI:
10.1093/bioinformatics/btu830
[Indexed for MEDLINE]
Free PMC Article

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