NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy.
NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy.
Bioinformatics. 2014 Dec 12;
Authors: Lee W, Tonelli M, Markley JL
Abstract
SUMMARY: SPARKY (Goddard & 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 (Lee et al. 2012), greatly accelerate protein side chain assignments. NMRFAM-SPARKY supports automated data format interconversion for interfacing with a variety of web-servers including, PECAN (Eghbalnia et al. 2005), PINE (Bahrami et al. 2009), TALOS-N (Shen and Bax 2013), CS-Rosetta (Shen et al. 2009), SHIFTX2 (Han et al. 2011) and PONDEROSA-C/S (Lee et al. 2014). Availability: 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-sp...stribution.htm.
CONTACT:
whlee@nmrfam.wisc.edu;
markley@nmrfam.wisc.edu.
PMID: 25505092 [PubMed - as supplied by publisher]
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