{"bugs":[],"categories":[{"categoryid":416,"name":"sci-chemistry","summary":"The sci-chemistry category contains software that can be used in chemistral scientific environments."}],"changelog":[{"authoremail":"repomirrorci@gentoo.org","authorname":"Repository mirror & CI","commitid":"a198e862478387fe37b4d232d51a3edb558cd3e0","committime":"2025-12-19T10:01:01","packageid":56069,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"grobian@gentoo.org","authorname":"Fabian Groffen","body":"Bug: https:\/\/bugs.gentoo.org\/473598\nBug: https:\/\/bugs.gentoo.org\/720224\nSigned-off-by: Fabian Groffen ","commitid":"2d25fad95cbaa525c8945d8e582c749d49524f49","committime":"2025-12-19T09:25:43","packageid":56069,"repoid":1,"summary":"*\/*: drop *-linux keywords"},{"authoremail":"repomirrorci@gentoo.org","authorname":"Repository mirror & CI","commitid":"f2979793991144637956e4225ce4d0235900c1a2","committime":"2023-06-09T15:16:56","packageid":56069,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"arthurzam@gentoo.org","authorname":"Arthur Zamarin","body":"Signed-off-by: Arthur Zamarin ","commitid":"6f4b97dc2412254f3ab29a6c9ddc1c1e574f153e","committime":"2023-06-03T14:47:14","packageid":56069,"repoid":1,"summary":"sci-chemistry\/clashlist: destabilize for ~x86"},{"authoremail":"repomirrorci@gentoo.org","authorname":"Repository mirror & CI","commitid":"1b521040d82b6064c67276edbae2918c0f97e10a","committime":"2020-09-16T20:35:15","packageid":56069,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"soap@gentoo.org","authorname":"David Seifert","body":"Closes: https:\/\/bugs.gentoo.org\/741993\nPackage-Manager: Portage-3.0.7, Repoman-3.0.1\nSigned-off-by: David Seifert ","commitid":"55069c5df9ea7cc47eb0a9f32959ce1e94ea5de6","committime":"2020-09-16T20:16:28","packageid":56069,"repoid":1,"summary":"sci-chemistry\/clashlist: Port to EAPI 7"},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"25093d6359f778b8d1052f66ba9e26fc29ded21a","committime":"2017-02-28T20:35:29","packageid":56069,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"robbat2@gentoo.org","authorname":"Robin H. Johnson","body":"Signed-off-by: Robin H. Johnson ","commitid":"61b861acd7b49083dab687e133f30f3331cb7480","committime":"2017-02-28T19:47:27","packageid":56069,"repoid":1,"summary":"Drop $Id$ per council decision in bug #611234."},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"7b9387f4ab0331961bc88789dbe2c19e3af56e73","committime":"2015-09-24T12:01:52","packageid":56069,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"jlec@gentoo.org","authorname":"Justin Lecher","body":"Package-Manager: portage-2.2.21\nSigned-off-by: Justin Lecher ","commitid":"d3e8f1f4ea09d9405eeb1db7bc8467f97ec88baa","committime":"2015-09-24T11:30:07","packageid":56069,"repoid":1,"summary":"sci-chemistry\/clashlist: Drop old"},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"124a03e31c50cbd21677efb7219fbb1ac8365d12","committime":"2015-09-24T11:01:58","packageid":56069,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"ago@gentoo.org","authorname":"Agostino Sarubbo","body":"Package-Manager: portage-2.2.20.1\nRepoMan-Options: --include-arches=\"amd64\"","commitid":"6cfe26872ee2c72d276fdcdeb68609fe655e6cec","committime":"2015-09-24T10:57:19","packageid":56069,"repoid":1,"summary":"sci-chemistry\/clashlist: amd64 stable wrt bug #547384"},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"945f0d2a26da4f944fd06ad6a874f69d37ce1e06","committime":"2015-08-09T09:26:46","packageid":56069,"repoid":1,"summary":"2015-08-09 09:26:21 UTC"},{"authoremail":"robbat2@gentoo.org","authorname":"Robin H. Johnson","body":"This commit represents a new era for Gentoo:\nStoring the gentoo-x86 tree in Git, as converted from CVS.\n\nThis commit is the start of the NEW history.\nAny historical data is intended to be grafted onto this point.\n\nCreation process:\n1. Take final CVS checkout snapshot\n2. Remove ALL ChangeLog* files\n3. Transform all Manifests to thin\n4. Remove empty Manifests\n5. Convert all stale $Header$\/$Id$ CVS keywords to non-expanded Git $Id$\n5.1. Do not touch files with -kb\/-ko keyword flags.\n\nSigned-off-by: Robin H. Johnson \nX-Thanks: Alec Warner - did the GSoC 2006 migration tests\nX-Thanks: Robin H. Johnson - infra guy, herding this project\nX-Thanks: Nguyen Thai Ngoc Duy - Former Gentoo developer, wrote Git features for the migration\nX-Thanks: Brian Harring - wrote much python to improve cvs2svn\nX-Thanks: Rich Freeman - validation scripts\nX-Thanks: Patrick Lauer - Gentoo dev, running new 2014 work in migration\nX-Thanks: Michał Górny - scripts, QA, nagging\nX-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed","commitid":"56bd759df1d0c750a065b8c845e93d5dfa6b549d","committime":"2015-08-08T20:49:04","packageid":56069,"repoid":1,"summary":"proj\/gentoo: Initial commit"},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"a637bd65b7fef8e2be4e7fc6e9097479372e0e2e","committime":"2015-06-19T16:38:33","packageid":56069,"repoid":1,"summary":"2015-06-19 16:35:30 UTC"}],"dependencies":[{"block":false,"categoryid":416,"description":"Evaluates atomic packing within or between molecules","ebuildids":[457006],"firstseen":"2010-05-04T00:54:45.661860","maintainer":"sci-chemistry@gentoo.org","maintainername":"Gentoo Chemistry Project","name":"probe","packageid":46267},{"block":false,"categoryid":416,"description":"Build lists of collections of interacting items","ebuildids":[457006],"firstseen":"2010-07-18T14:35:32.459536","maintainer":"sci-chemistry@gentoo.org","maintainername":"Gentoo Chemistry Project","name":"cluster","packageid":56062,"summary":"Cluster is a simple UNIX C++ program to build lists of collections of interacting items from records containing interacting pairs and larger fragments. It reads in lines consisting of two or more names and output connected clusters of names. Each line of output is prefixed with a cluster number, the size of the cluster and an optional name string."}],"depending":[],"ebuilds":[{"archs":["amd64","~x86"],"ebuildid":457006,"firstseen":"2012-06-08T14:36:10.130715","license":"richardson","moddate":"2025-12-19T10:14:53","packageid":56069,"repoid":1,"slot":"0","uses":[],"version":"3.17-r1"}],"masks":[],"package":{"categoryid":416,"description":"Build lists of van der Waals clashes from an input PDB file","firstseen":"2010-07-19T14:36:00.880923","maintainer":"sci-chemistry@gentoo.org","maintainername":"Gentoo Chemistry Project","name":"clashlist","packageid":56069,"summary":"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."},"rdependencies":[{"block":false,"categoryid":416,"description":"Evaluates atomic packing within or between molecules","ebuildids":[457006],"firstseen":"2010-05-04T00:54:45.661860","maintainer":"sci-chemistry@gentoo.org","maintainername":"Gentoo Chemistry Project","name":"probe","packageid":46267},{"block":false,"categoryid":416,"description":"Build lists of collections of interacting items","ebuildids":[457006],"firstseen":"2010-07-18T14:35:32.459536","maintainer":"sci-chemistry@gentoo.org","maintainername":"Gentoo Chemistry Project","name":"cluster","packageid":56062,"summary":"Cluster is a simple UNIX C++ program to build lists of collections of interacting items from records containing interacting pairs and larger fragments. It reads in lines consisting of two or more names and output connected clusters of names. Each line of output is prefixed with a cluster number, the size of the cluster and an optional name string."}],"repos":[{"branch":"master","lastcommit":"82366aa45a35f6900f43023917c2c86ccdbb00a3","name":"gentoo","path":"\/usr\/portage","repoid":1,"upstream":"origin"}],"tracked":false,"urls":["http:\/\/kinemage.biochem.duke.edu\/software\/index.php"],"uses":[]}