diff options
| author | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
|---|---|---|
| committer | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
| commit | 4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch) | |
| tree | ba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-chemistry/clashlist | |
reinit the tree, so we can have metadata
Diffstat (limited to 'sci-chemistry/clashlist')
| -rw-r--r-- | sci-chemistry/clashlist/Manifest | 5 | ||||
| -rw-r--r-- | sci-chemistry/clashlist/clashlist-3.17-r1.ebuild | 30 | ||||
| -rw-r--r-- | sci-chemistry/clashlist/metadata.xml | 16 |
3 files changed, 51 insertions, 0 deletions
diff --git a/sci-chemistry/clashlist/Manifest b/sci-chemistry/clashlist/Manifest new file mode 100644 index 000000000000..4a46ed5b9da2 --- /dev/null +++ b/sci-chemistry/clashlist/Manifest @@ -0,0 +1,5 @@ +DIST molprobity-3.17.tgz 26429898 SHA256 2e70814efb4f566a522762a626f69669c09285cbb6fc26444eb947fde9b30f25 SHA512 a6e986f285ff7e8d167e2d1c935a55b080446c9809d352c95e2ffa32265892b59cd1611730e75ca88aa28387495d3ebd84226e1a9cdd33f0b27b1a8a1b6a469f WHIRLPOOL 3981522eeacaa589530e7d268cda786bebeaf676f7fa5c26508798022126bd1a1c8ea193f65e3c5c739fb3b516b26c3cf24ac0e7898e764a9cffab6637dcd5a9 +EBUILD clashlist-3.17-r1.ebuild 652 SHA256 54e5b295af091ef3369bb776ec51207856e50b015d4d50523568425ca2d569d7 SHA512 600b5dca240537ca83fb374c72e73f205bb2ce320cbccd03b5c922f5163b43a059dc2f6fab481f0b54d066d3ed1a7f06c125b95ba7f05a2065b62395193961c9 WHIRLPOOL 70ae99b92b50097e2defe14b6119c6936667f808f76ce21025d9fac861aa54aea09d59b04adeeec7069134384cbb0421a1283a08480390c2a4b9ac014a34ea89 +MISC ChangeLog 2991 SHA256 f2b0bc389e6616710e285c8a7ce620955c971ee2de498ab71b49f85c0e3e3bdb SHA512 cc649db5aefb47069cb102bf049435fe33640b18455dbb4675822a0dadb6b0c8bcbfb9ca208e1284e04a3899f2514e9abdd2d946dbdc52105e08127431eaa011 WHIRLPOOL f48681fe57ae70437ecfc191946532478643866909b34020c071923fd31b5857ac7b8d937265c75ffb70358f299fd5590b06e25cca6898da77ba674f3cd3c0c6 +MISC ChangeLog-2015 861 SHA256 156e5d08c3dfaed508204a770285c79804d9e616fa4cea9d280a37cd0e7383cd SHA512 d2004c9aeba4f67b4094512a8a859d78d1e3f391c3229c33d26958a98ef1c5783d3c9b0874d0fa80c5c09da06bd654e764fcee8d060b8302f52ef13725a406a4 WHIRLPOOL dc22f22fe88e11b51e82e2e209f93ab47ab8753b2d260c177916d3f73e033c1feadbcb2b83c190e109abedc7641bb412eef1e619b89685fe065085edd9ff444b +MISC metadata.xml 723 SHA256 52cbea9f4cff708f8a89d5a23093425858b3800d22d5676039cae31d97ba6b3c SHA512 7da0ab5c03d802eac05b84e5f47fecdaf990ace2789f0f88c69e730155c9a9637ce23d5ede6633c6e6f7cf9c2cdf3e7b7c82de169caa291bd8facab327577e16 WHIRLPOOL 377be4ed02487c1dbd61f62483c260953f620c6513343ff34ba578f58aa8b440064d0d7ed58a5124afb30968d89e86d2c3b11fe0f696e01009865f5905255966 diff --git a/sci-chemistry/clashlist/clashlist-3.17-r1.ebuild b/sci-chemistry/clashlist/clashlist-3.17-r1.ebuild new file mode 100644 index 000000000000..7028015f5835 --- /dev/null +++ b/sci-chemistry/clashlist/clashlist-3.17-r1.ebuild @@ -0,0 +1,30 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +EAPI=4 + +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-${PV}.tgz" + +SLOT="0" +LICENSE="richardson" +KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + >=sci-chemistry/cluster-1.3.081231-r1 + sci-chemistry/probe" +DEPEND="${RDEPEND}" + +S="${WORKDIR}" + +src_prepare() { + sed \ + -e 's: cluster : molprobity-cluster :g' \ + -i molprobity3/bin/clashlist || die +} + +src_install() { + dobin molprobity3/bin/clashlist +} diff --git a/sci-chemistry/clashlist/metadata.xml b/sci-chemistry/clashlist/metadata.xml new file mode 100644 index 000000000000..a2df83cc0e8b --- /dev/null +++ b/sci-chemistry/clashlist/metadata.xml @@ -0,0 +1,16 @@ +<?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> |