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Diffstat (limited to 'sci-chemistry/numbat/metadata.xml')
| -rw-r--r-- | sci-chemistry/numbat/metadata.xml | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/sci-chemistry/numbat/metadata.xml b/sci-chemistry/numbat/metadata.xml new file mode 100644 index 000000000000..054dc8435cf6 --- /dev/null +++ b/sci-chemistry/numbat/metadata.xml @@ -0,0 +1,19 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </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> |