metadata.xml 954 B

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  1. <?xml version="1.0" encoding="UTF-8"?>
  2. <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
  3. <pkgmetadata>
  4. <maintainer type="project">
  5. <email>sci-chemistry@gentoo.org</email>
  6. <name>Gentoo Chemistry Project</name>
  7. </maintainer>
  8. <use>
  9. <flag name="aria"> Support patch for sci-chemistry/aria</flag>
  10. </use>
  11. <longdescription>
  12. Crystallography and NMR System (CNS) is the result of an international
  13. collaborative effort among several research groups. The program has
  14. been designed to provide a flexible multi-level hierachical approach for the
  15. most commonly used algorithms in macromolecular structure determination.
  16. Highlights include heavy atom searching, experimental phasing (including
  17. MAD and MIR), density modification, crystallographic refinement with maximum
  18. likelihood targets, and NMR structure calculation using NOEs, J-coupling,
  19. chemical shift, and dipolar coupling data.
  20. </longdescription>
  21. </pkgmetadata>