metadata.xml 723 B

1234567891011121314151617
  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. <longdescription>
  9. Clashlist is a simple UNIX script which uses the awk facility along with
  10. the programs Probe and Cluster to build lists of van der Waals clashes
  11. from an input PDB-format molecular data file (with H atoms). These lists
  12. are organized such that collections of interacting residues are grouped
  13. together, sorted by the worst clash. For the purposes of this analysis,
  14. a clash is defined as a van der Waals overlap &gt;= 0.4 A.
  15. </longdescription>
  16. </pkgmetadata>