{"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":59882,"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":59882,"repoid":1,"summary":"*\/*: drop *-linux keywords"},{"authoremail":"repomirrorci@gentoo.org","authorname":"Repository mirror & CI","commitid":"71bd9032701a39f032076a4206bc3beb92be5d78","committime":"2025-10-05T18:03:52","packageid":59882,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"asturm@gentoo.org","authorname":"Andreas Sturmlechner","body":"Raise cmake_minimum_required to 3.31\n\nCloses: https:\/\/bugs.gentoo.org\/953912\nSigned-off-by: Andreas Sturmlechner ","commitid":"6dd284459885ae3be8cb274d6edd7bd725a3dc74","committime":"2025-10-05T13:20:18","packageid":59882,"repoid":1,"summary":"sci-chemistry\/pdbcat: Fix build w\/ cmake-4, use more https, GNUInstallDirs"},{"authoremail":"repomirrorci@gentoo.org","authorname":"Repository mirror & CI","commitid":"706d4f5beb249c1ddbf1311c33e8f02274f3ab90","committime":"2022-02-27T22:51:45","packageid":59882,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"sam@gentoo.org","authorname":"Sam James","body":"Closes: https:\/\/bugs.gentoo.org\/834304\nSigned-off-by: Sam James ","commitid":"df50910c5761df0de027da735f6990e577f2ead7","committime":"2022-02-27T22:36:04","packageid":59882,"repoid":1,"summary":"sci-chemistry\/pdbcat: port to EAPI 8"},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"25093d6359f778b8d1052f66ba9e26fc29ded21a","committime":"2017-02-28T20:35:29","packageid":59882,"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":59882,"repoid":1,"summary":"Drop $Id$ per council decision in bug #611234."},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"c1c535ca9825f17e017f118de39ed60c96f25b27","committime":"2017-02-10T20:42:14","packageid":59882,"repoid":1,"summary":"Merge updates from master"},{"authoremail":"johu@gentoo.org","authorname":"Johannes Huber","body":"Package-Manager: Portage-2.3.3, Repoman-2.3.1","commitid":"6ea819b3a4ff4b3d13804cefb34fa9421c5cc6a1","committime":"2017-02-10T20:24:08","packageid":59882,"repoid":1,"summary":"sci-chemistry\/pdbcat: Shorten DESCRIPTION"},{"authoremail":"johu@gentoo.org","authorname":"Johannes Huber","body":"Package-Manager: Portage-2.3.3, Repoman-2.3.1","commitid":"ba208ac5514db1934f342436b9a541d925cd5df1","committime":"2017-02-10T20:23:30","packageid":59882,"repoid":1,"summary":"sci-chemistry\/pdbcat: EAPI 6"},{"authoremail":"repo-qa-checks@gentoo.org","authorname":"Repository QA checks","commitid":"945f0d2a26da4f944fd06ad6a874f69d37ce1e06","committime":"2015-08-09T09:26:46","packageid":59882,"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":59882,"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":59882,"repoid":1,"summary":"2015-06-19 16:35:30 UTC"}],"dependencies":[],"depending":[],"ebuilds":[{"archs":["~amd64","~x86"],"ebuildid":741445,"firstseen":"2022-02-28T18:31:39.467293","license":"free-noncomm","moddate":"2026-03-28T18:04:21","packageid":59882,"repoid":1,"slot":"0","uses":[],"version":"1.3-r1"}],"masks":[],"package":{"categoryid":416,"description":"Manipulate and process PDB files using tools such as Perl, awk, etc","firstseen":"2012-10-12T13:40:19.750796","maintainer":"sci-chemistry@gentoo.org","maintainername":"Gentoo Chemistry Project","name":"pdbcat","packageid":59882,"summary":"The Brookhaven Protein Data Bank stores atomic coordinate information for protein structures in a column based format. This is designed to be read easily read by FORTRAN programs. Indeed, if you get the format description (from anonymous ftp to ftp.pdb.bnl.gov, the file \/pub\/format.desc.ps) they show the single input line needed to read each record type. However, I am a C\/C++ programmer in the Unix environment. It is a easier for me to deal with field based input than column based ones. If the fields are white space delimited I can easily use awk and perl to manipulate the coordinate information. So I needed some way to convert the ATOM and HETATM records of PDB files from the standard column based format to a field based one and back again. It needed to denote missing fields if they exist. That converter is `pdbcat'."},"rdependencies":[],"repos":[{"branch":"master","lastcommit":"52197549fd3431fa256b8edbafdcd3702dd0e134","name":"gentoo","path":"\/usr\/portage","repoid":1,"upstream":"origin"}],"tracked":false,"urls":["https:\/\/www.ks.uiuc.edu\/Development\/MDTools\/pdbcat\/"],"uses":[]}