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