reinit the tree, so we can have metadata

1 files changed, 27 insertions, 0 deletions

diff --git a/sci-chemistry/parassign/metadata.xml b/sci-chemistry/parassign/metadata.xml
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index 000000000000..f230593f73e9
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+++ b/sci-chemistry/parassign/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>
+The use of paramagnetic NMR data for the refinement of structures of proteins 
+and protein complexes is widespread. However, the power of paramagnetism for 
+protein assignment has not yet been fully exploited. PARAssign is software that 
+uses pseudocontact shift data derived from several paramagnetic centers attached
+to the protein to obtain amide and methyl assignments. The ability of PARAssign 
+to perform assignment when the positions of the paramagnetic centers are known 
+and unknown is demonstrated. PARAssign has been tested using synthetic data for 
+methyl assignment of a 47 kDa protein, and using both synthetic and experimental
+data for amide assignment of a 14 kDa protein. The complex fitting space 
+involved in such an assignment procedure necessitates that good starting 
+conditions are found, both regarding placement and strength of paramagnetic 
+centers. These starting conditions are obtained through automated tensor 
+placement and user-defined tensor parameters. The results presented herein 
+demonstrate that PARAssign is able to successfully perform resonance assignment
+in large systems with a high degree of reliability. This software provides a 
+method for obtaining the assignments of large systems, which may previously have
+been unassignable, by using 2D NMR spectral data and a known protein structure.
+</longdescription>
+</pkgmetadata>