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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>
Numbat is a user friendly software that fits dX-tensor to a set of PCS
measurements and a structure from a PDB file. It has also been designed to
assist in the semi automatic process of PCS assignment. A detailed description
of the software can be found in this publication:
Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting,
and Thomas Huber (2008). Numbat: an interactive software tool for fitting
Δχ-tensors to molecular coordinates using pseudocontact shifts. Journal of
Biomolecular NMR. 41:179-189.
</longdescription>
</pkgmetadata>
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