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NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy

Open access
Lee, Woonghee, Tonelli, Marco, Markley, John L.·2015·Bioinformatics

Abstract

Summary: 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.

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Crossref · 10.1093/bioinformatics/btu830

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Metadata

Authors
Lee, W., Tonelli, M., & Markley, J. L.
Venue
Bioinformatics
Published
2014-12-12
Volume
31
Issue
8
Pages
1325-1327
ISSN
  • 1367-4803 (ISSN-L)
  • 1367-4811
OpenAlex
W2136332525
Cited by
2,045
References
1
FWCI
12.38
Type
journal article
Language
en
Open access
hybrid

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