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17 lines
731 B
17 lines
731 B
<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<maintainer type="project">
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<email>sci-chemistry@gentoo.org</email>
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<name>Gentoo Chemistry Project</name>
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</maintainer>
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<longdescription>
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Clashlist is a simple UNIX script which uses the awk facility along with
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the programs Probe and Cluster to build lists of van der Waals clashes
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from an input PDB-format molecular data file (with H atoms). These lists
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are organized such that collections of interacting residues are grouped
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together, sorted by the worst clash. For the purposes of this analysis,
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a clash is defined as a van der Waals overlap >= 0.4 A.
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</longdescription>
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</pkgmetadata>
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