PRODECOMPv3: decompositions of NMR projections for protein backbone and side-chain assignments and structural studies

UNLABELLED PRODECOMP (projection decomposition) is an implementation of a multi-way decomposition algorithm for the analysis of two-dimensional projections of high-dimensional nuclear magnetic resonance spectra. The newest version, PRODECOMPv3, features a dramatic speedup, more reliable decompositions, a substantial reduction in memory demands, a new graphical user interface and integration into third-party software. These improvements extend the applicability of decompositions to novel types of NMR data on proteins, yielding backbone and side-chain assignments as well as structural information, and therewith enabling complete characterizations of proteins. AVAILABILITY Program, short manual and an example calculation are freely available at www2.chem.gu.se/bcbp/nmr/prodecomp.html.