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Package-Manager: portage-2.2_rc67/cvs/Linux x86_64

4 files changed, 63 insertions, 0 deletions

diff --git a/sci-chemistry/clashlist/ChangeLog b/sci-chemistry/clashlist/ChangeLog
new file mode 100644
index 000000000000..0401d09f89a5
--- /dev/null
+++ b/sci-chemistry/clashlist/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/clashlist
+# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/clashlist/ChangeLog,v 1.1 2010/07/19 06:43:59 jlec Exp $
+
+*clashlist-3.17 (19 Jul 2010)
+
+  19 Jul 2010; Justin Lecher <jlec@gentoo.org> +clashlist-3.17.ebuild,
+  +metadata.xml:
+  New addition
+
diff --git a/sci-chemistry/clashlist/Manifest b/sci-chemistry/clashlist/Manifest
new file mode 100644
index 000000000000..af845b9e90e7
--- /dev/null
+++ b/sci-chemistry/clashlist/Manifest
@@ -0,0 +1,14 @@
+-----BEGIN PGP SIGNED MESSAGE-----
+Hash: SHA1
+
+DIST molprobity-3.17.tgz 26429898 RMD160 2bbd6d9c989692849dc56238cc9666742e2e3e1f SHA1 9205a37454ab690a62496e262c4cfc68c924e9a8 SHA256 2e70814efb4f566a522762a626f69669c09285cbb6fc26444eb947fde9b30f25
+EBUILD clashlist-3.17.ebuild 642 RMD160 0a0a4580e29b2fe4d1e645e284ea3c247c2d06db SHA1 a10f2d4d28295be628809c9bd48d5d0c95937909 SHA256 47005c5bbc15aa8e09ce0d33f57da3d00a7b5577483cbb3ba6dc0fdaa7325b66
+MISC ChangeLog 352 RMD160 f85c307ce1cd62d66f2effed8b967878b8c8207e SHA1 9e5d938c6f61e0892d84babfe4a910043b789982 SHA256 13718506c1064a013959cb7c6200261e79c79670369d68526c4f3c7ac5139e2c
+MISC metadata.xml 680 RMD160 5574cd39abdc95da1c31bddba6c81f94bfa01ea0 SHA1 6f72238db2762a63c7796ea2efddbe63e9b4b439 SHA256 2dc2e68808d880675861d96c0240b318cae3d65e97e2b49c5500670b38daf1da
+-----BEGIN PGP SIGNATURE-----
+Version: GnuPG v2.0.15 (GNU/Linux)
+
+iEYEARECAAYFAkxD9DYACgkQgAnW8HDreRZsJACfT2oosEX0XrQWOw+0xAxVFJXE
+YZYAnijJdHSsYxzHjxHf9AmicT64o1KV
+=qeKd
+-----END PGP SIGNATURE-----
diff --git a/sci-chemistry/clashlist/clashlist-3.17.ebuild b/sci-chemistry/clashlist/clashlist-3.17.ebuild
new file mode 100644
index 000000000000..bab469623b8e
--- /dev/null
+++ b/sci-chemistry/clashlist/clashlist-3.17.ebuild
@@ -0,0 +1,23 @@
+# Copyright 1999-2010 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/clashlist/clashlist-3.17.ebuild,v 1.1 2010/07/19 06:43:59 jlec Exp $
+
+# inherit
+
+DESCRIPTION="Build lists of van der Waals clashes from an input PDB file"
+HOMEPAGE="http://kinemage.biochem.duke.edu/software/index.php"
+SRC_URI="mirror://gentoo/molprobity-${PV}.tgz"
+
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+LICENSE="richardson"
+IUSE=""
+
+RDEPEND="
+	sci-chemistry/cluster
+	sci-chemistry/probe"
+DEPEND="${RDEPEND}"
+
+src_install() {
+	dobin molprobity3/bin/clashlist || die
+}
diff --git a/sci-chemistry/clashlist/metadata.xml b/sci-chemistry/clashlist/metadata.xml
new file mode 100644
index 000000000000..d02b9eb95dce
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+++ b/sci-chemistry/clashlist/metadata.xml
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+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci-chemistry</herd>
+<maintainer>
+  <email>jlec@gentoo.org</email>
+</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>