sci-chemistry@gentoo.org
Gentoo Chemistry Project
PRODECOMP (PROjection DECOMPosition) is a software tool for
decomposition of 2D projections of high-dimensional NMR spectra to a set
of components (defined in turn by one-dimensional "shapes").
Simultaneous analysis of projections from one or several
high-dimensional experiments provide unambigous chemical shifts for
large spin systems. The latter can be used for backbone and side-chain
assignments as well as structural studies of proteins
(Malmodin and Billeter 2005; 2006; Staykova et al. 2008a,b).