19 lines
852 B
XML
19 lines
852 B
XML
<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<maintainer type="project">
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<email>sci-chemistry@gentoo.org</email>
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<name>Gentoo Chemistry Project</name>
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</maintainer>
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<longdescription>
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Numbat is a user friendly software that fits dX-tensor to a set of PCS
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measurements and a structure from a PDB file. It has also been designed to
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assist in the semi automatic process of PCS assignment. A detailed description
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of the software can be found in this publication:
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Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting,
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and Thomas Huber (2008). Numbat: an interactive software tool for fitting
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Δχ-tensors to molecular coordinates using pseudocontact shifts. Journal of
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Biomolecular NMR. 41:179-189.
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</longdescription>
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</pkgmetadata>
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