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gentoo-overlay/sci-chemistry/prodecomp/metadata.xml

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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<maintainer type="project">
<email>sci-chemistry@gentoo.org</email>
<name>Gentoo Chemistry Project</name>
</maintainer>
<longdescription>
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).
</longdescription>
</pkgmetadata>