POKY software tools encapsulating assignment strategies for solution and solid-state protein NMR data
Ira Manthey, Marco Tonelli, Lawrence J. Clos, Mehdi Rahimi, John L. Markley, Woonghee Lee
Abstract
NMR spectroscopy provides structural and functional information about biomolecules and their complexes. The complexity of these systems can make the NMR data difficult to interpret, particularly for newer users of NMR technology, who may have limited understanding of the tools available and how they are used. To alleviate this problem, we have created software based on standardized workflows for both solution and solid-state NMR spectroscopy of proteins. These tools assist with manual and automated peak picking and with chemical shift assignment and validation. They provide users with an optimized path through spectral analysis that can help them perform the necessary tasks more efficiently.