Allows nuclear magnetic resonance (NMR) assignment and integration for proteins, nucleic acids, and other polymers. Sparky allows user to pick, assign, integrate peaks and to work with any number of 2, 3 or 4 dimensional (2D, 3D or 4D) spectra simultaneously, using spectra processed with NMRPipe, Felix, Varian VNMR, or Bruker software.
Assists users with automated structure calculation of biological macromolecules on the basis of conformational constraints from nuclear magnetic resonance (NMR). CYANA provides a combined assignment and dynamics algorithm.
SPARKY remains the most popular software program for NMR data analysis, despite the fact that development of the package by its originators ceased in 2001. 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.
A constraint-based expert system for automating the analysis of backbone resonance assignments using triple resonance NMR spectra of small proteins. The AutoAssign web interface can submit jobs to the AutoAssign server. It can also submit jobs to PINE, another automated resonance assignment web server. The AutoAssign interface will immediately show the results from the AutoAssign server. Once the PINE results are available by e-mail, the user can also upload them into the AutoAssign web interface. The AutoAssign web interface will then show an interactive comparison chart where the user can easily find different resonance assignments between the two programs. This comparison chart can generally guide the user for further investigation of resonances assigned differently by the AutoAssign and PINE web servers. The resonances assigned by both programs generally have higher accuracy confidences.