This list is closed, nobody may subscribe to it.
2002 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
|
Oct
|
Nov
|
Dec
(1) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
2003 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
(1) |
Jul
|
Aug
|
Sep
|
Oct
|
Nov
|
Dec
|
2004 |
Jan
|
Feb
(2) |
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
|
Oct
|
Nov
|
Dec
|
2005 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
|
Oct
|
Nov
(1) |
Dec
|
2006 |
Jan
|
Feb
|
Mar
|
Apr
(1) |
May
|
Jun
|
Jul
(1) |
Aug
|
Sep
|
Oct
|
Nov
|
Dec
|
2007 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
(1) |
Aug
|
Sep
|
Oct
|
Nov
|
Dec
|
2008 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
(1) |
Aug
|
Sep
|
Oct
|
Nov
|
Dec
|
2009 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
(1) |
Aug
|
Sep
|
Oct
|
Nov
|
Dec
|
2010 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
|
Oct
(1) |
Nov
|
Dec
|
2011 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
|
Oct
(2) |
Nov
|
Dec
|
2016 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
(1) |
Oct
|
Nov
|
Dec
|
2019 |
Jan
|
Feb
|
Mar
|
Apr
|
May
|
Jun
|
Jul
|
Aug
|
Sep
|
Oct
(1) |
Nov
|
Dec
|
From: Geoffrey H. <ge...@pi...> - 2019-10-24 15:58:23
|
I'm pleased to announce the release of Open Babel 3.0.0 [finally]: This release represents a major update and is strongly recommended for all users. It also removes deprecated components and breaks the API in a few places. For information on migrating from the previous version, please see: https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html#migrating-to-3-0 We intend to move to semi-annual releases in Spring and Fall, with bug fix releases as needed. A sample of major new features: - Code for handling implicit hydrogens and kekulization has been entirely replaced. As well as being accurate, the new approach is much faster. - Speed of reading and writing SMILES has been improved by more than 50-fold. - Removal of the old 'babel' binary in favor of the newer 'obabel' command-line tool. - New improved fragment-based 3D coordinate generation code as part of Google Summer of code 2018/2019. Significantly faster and more accurate: https://doi.org/10.1186/s13321-019-0372-5 <https://doi.org/10.1186/s13321-019-0372-5> (Please cite J. Cheminf. (2019) v11, article 49 if you use the new 3D coordinate generation.) - New API for handling reactions stored as molecules (e.g. Reaction InChI, etc.) - New API for copying part of an OBMol as a substructure - Support for Maestro file format, contributed by Patrick Lorton of Schrodinger There are an incredible number of improvements, minor features and many bug fixes. For a full list of changes and to download source packages (and eventually binaries) https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob300.html <https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob300.html> https://github.com/openbabel/openbabel/releases <https://github.com/openbabel/openbabel/releases> Thanks to a cast of many for this release, particularly including Noel O'Boyle; aandi, adalke (Andrew Dalke), adamjstewart (Adam J. Stewart), afonari (Alexandr Fonari), artoria2e5 (Mingye Wang), baoilleach (Noel O’Boyle), barrymoo (Barry Moore), bbucior (Ben Bucior), boryszef (Borys Szefczyk), camannguyen (An Nguyen), cmanion (Charles A. Manion), cowsandmilk (David Hall), cstein (Casper Steinmann), derekharmon (Derek Harmon), djhogan (Daniel Hogan), dkoes (David Koes), e-kwsm (Eisuke Kawashima), eloyfelix (Eloy Felix), fredrikw (Fredrik Wallner), ghutchis (Geoff Hutchison), hille721 (Christoph Hille), hseara (Hector Martinez-Seara), jasonychuang (Jason Huang), jeffjanes (Jeff Janes), johnmay (John Mayfield), katrinleinweber (Katrin Leinweber), keipertk (Kristopher Keipert), kyle-roberts-arzeda, langner (Karol M. Langner), lorton (Pat Lorton), mcs07 (Matt Swain), merkys (Andrius Merkys), mkrykunov, mmghahremanpour (Mohammad Ghahremanpour), mwojcikowski (Maciej Wójcikowski), n-yoshikawa (Naruki Yoshikawa), nakatamaho (Nakata Maho), nsoranzo (Nicola Soranzo), oititov (Titov Oleg), orex (Kirill Okhotnikov), pbecherer (Paul Becherer), peawagon (Jen), philthiel (Philipp Thiel), psavery (Patrick Avery), rmeli (Rocco Meli), serval2412 (Julien Nabet), sunoru, susilehtola (Susi Lehtola), tgaudin (Théophile Gaudin), theavey (Thomas Heavey), timvdm (Tim Vandermeersch), torcolvin (Tor Colvin), wojdyr (Marcin Wojdyr), xomachine (Dmitriy Fomichev), yishutu (Yi-Shu Tu) |
From: Geoffrey H. <ge...@pi...> - 2016-09-22 14:16:45
|
I'm pleased to announce that Open Babel 2.4.0 has finally been released. This release represents a major update and should be a stable upgrade, strongly recommended for all users. We intend to move to an annual major release every September, with bug fix releases as needed. A sample of major new features: * Integration of the confab conformer generator * Improved partial charge models, including EEM methods, EQeq * ECFP radial fingerprints * Initial support for ring rotamer / conformer sampling * Improved GAFF atom typing and parameterization * New PHP scripting bindings * Many new file formats, features and bug fixes For a full list of changes and to download source packages (and eventually binaries) https://github.com/openbabel/openbabel/releases <https://github.com/openbabel/openbabel/releases> https://sourceforge.net/projects/openbabel/files/openbabel/2.4.0/ <https://sourceforge.net/projects/openbabel/files/openbabel/2.4.0/> Thanks to a cast of many for this release, including: Alexandr Fonari, Anders Steen Christensen, Andreas Kempe, arkose, Benoit Leblanc, Björn Grüning, Casper Steinmann, Chris Morley, Christoph Willing, Craig James, Dagmar Lenk, David Hall, David Koes, David Lonie, David van der Spoel, Dmitriy Fomichev, Fulvio Ciriaco, Fredrik Wallner, Geoff Hutchison, Heiko Becker, Itay Zandbank, Jean-Noel Avila, Jeff Janes, Joaquin Peralta, Joshua Swamidass, Julien Nabet, Karol Langner, Karthik Rajagopalan, Katsuhiko Nishimra, Kevin Horan, Kirill Okhotnikov, Lee-Ping, Matt Harvey, Maciej Wójcikowski, Marcus Hanwell, Mathias Laurin, Matt Swain, Mohamad Mohebifar, Mohammad Ghahremanpour, Noel O'Boyle, Patrick Avery, Patrick Fuller, Paul van Maaren, Peng Bai, Philipp Thiel, Reinis Danne, Roger Sayle, Ronald Cohen, Scott McKechnie, Stefano Forli, Steve Roughley, Steffen Moeller, Tim Vandermeersch, Tomas Racek, Tomáš Trnka, Tor Colvin, Torsten Sachse, Yi-Shu Tu, Zhixiong Zhao |
From: Geoffrey H. <ge...@pi...> - 2011-10-17 16:10:04
|
I am very happy to finally announce the release of Open Babel 2.3.1, a major update release of the open source chemistry toolbox. Open Babel has been downloaded nearly 200,000 times and is used in over 45 projects and over 400 publications. http://www.jcheminf.com/content/3/1/33 This release represents a major bug-fix-release and should be a stable upgrade, strongly recommended for all users of Open Babel. Many bugs and enhancements have been added in the last year since the 2.3.0 release. What's new? See the full release notes at: http://openbabel.org/wiki/Open_Babel_2.3.1 See the new user guide at: http://openbabel.org/docs/2.3.1/ See the updated developer documentation at: http://openbabel.org/api/2.3/ To download, see: http://sourceforge.net/projects/openbabel/files/ For more information, see the project website at: http://openbabel.org/ I'd particularly like to thank Chris Morley, Noel O'Boyle, and many others who put large amounts of time testing and improving this release. This is a community project and we couldn't have made this release without you. Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code. Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: ge...@pi... web: http://hutchison.chem.pitt.edu/ |
From: Geoffrey H. <ge...@pi...> - 2011-10-07 16:12:17
|
I'm glad to announce that after 10 years, we finally got around to publishing a paper on Open Babel. :-) Noel M. O’Boyle , Michael Banck , Craig A. James , Chris Morley , Tim Vandermeersch, Geoffrey R. Hutchison. “Open Babel: An open chemical toolbox.” J. Cheminf. 2011 3:33. http://www.jcheminf.com/content/3/1/33 The article is open access, so we hope you'll grab a copy and cite it whenever you publish work using Open Babel. So far, over 400 publications have used OB, and the article covers some of the most interesting and diverse uses, in addition to the development, structure, and features of the toolkit. Thanks to Noel M. O'Boyle, Michael Banck, Craig A. James, Chris Morley, and Tim Vandermeersch! -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: ge...@pi... web: http://hutchison.chem.pitt.edu/ |
From: Geoffrey H. <ge...@pi...> - 2010-10-26 15:53:56
|
I am very happy to finally announce the release of Open Babel 2.3.0, the next major release of the open source chemistry toolbox. Open Babel has been downloaded over 160,000 times and is used in over 40 projects. This release represents a major update and should be a stable upgrade, strongly recommended for all users of Open Babel. Highlights include a completely rewritten stereochemistry engine, Spectrophore descriptor generation, 2D depiction, improved 3D coordinate generation, conformer searching, and more. Many formats are improved or added, including CIF, PDBQT, SVG, and more. Improved developer API and scripting support and many, many bug fixes are also included. What's new? See the full release notes at: http://openbabel.org/wiki/Open_Babel_2.3.0 See the new user guide at: http://openbabel.org/docs/2.3.0/ See the updated developer documentation at: http://openbabel.org/api/2.3/ To download, see: http://sourceforge.net/projects/openbabel/files/ For more information, see the project website at: http://openbabel.org/ I would like to personally thank a few people for extra effort in improving this release. In alphabetical order Chris Morley, Noel O'Boyle, Tim Vandermeersch, and Silicos NV, which donated their Spectrophore(TM) framework to Open Babel 2.3. This is a community project and we couldn't have made this release without you. Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code. Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: ge...@pi... web: http://hutchison.chem.pitt.edu/ |
From: Geoffrey H. <ge...@pi...> - 2009-07-10 16:22:22
|
I am very happy to finally announce the release of Open Babel 2.2.2, the latest stable version of the open source chemistry toolbox. This release represents a major bug-fix release and is a stable upgrade, strongly recommended for all users of Open Babel. While there may not be many new features, many crashes and other bugs have been fixed since 2.2.1 and 2.2.0. What's new? See the full release notes at: http://openbabel.org/wiki/Open_Babel_2.2.2 To download, see: https://sourceforge.net/projects/openbabel/files/ For more information, see the project website at: http://openbabel.org/ I would like to personally thank a few people for making this release a great one. In alphabetical order, Igor Filippov, Craig James, Chris Morley, Noel O'Boyle, and Tim Vandermeersch. This is a community project and we couldn't have made this release without you. Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code. Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: ge...@pi... web: http://hutchison.chem.pitt.edu/ |
From: Geoffrey H. <ge...@ge...> - 2008-07-04 14:00:07
|
I am very happy to finally announce the release of Open Babel 2.2.0, the latest stable version of the open source chemistry toolbox. This release represents a major update and should be a stable upgrade, strongly recommended for all users of Open Babel. Highlights include improved force fields and coordinate generation, conformer searching, enhanced plugins including molecular descriptors, filters, and command- line transformations. Many formats are improved or added, including CIF, mmCIF, Gaussian cube, PQR, OpenDX cubes, and more. Improved developer API and scripting support and many, many bug fixes are also included. What's new? See the full release notes at: http://openbabel.org/wiki/Open_Babel_2.2.0 To download, see: http://sourceforge.net/project/showfiles.php?group_id=40728&package_id=32894 For more information, see the project website at: http://openbabel.org/ I would like to personally thank a few people for making this release a great one. In alphabetical order, Jean Bréfort, Andrew Dalke, Marcus Hanwell, Chris Morley, Noel O'Boyle, Kevin Shepherd, Tim Vandermeersch, and Ugo Varetto. This is a community project and we couldn't have made this release without you. Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code. Cheers, -Geoff |
From: Geoffrey H. <ge...@ge...> - 2007-07-07 19:22:26
|
I am pleased to announce the release of Open Babel 2.1.1, the latest stable version of the open source chemistry toolbox. This release represents a stable bug-fix release and is highly recommended for all users, even those who have not had problems with 2.1.0. It includes fixes for several important crashes, and many, many bug fixes and improvements. What's new? See the full release notes at: http://openbabel.sourceforge.net/wiki/Open_Babel_2.1.1 To download, see: http://sourceforge.net/project/showfiles.php? group_id=40728&package_id=32894&release_id=521581 For more information, see the project website at: http://openbabel.sourceforge.net/ This is a community project and we couldn't have made this release without you. Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code. Cheers and many thanks, -Geoff |
From: Geoffrey H. <ge...@ge...> - 2006-07-24 16:33:07
|
The Open Babel project is extremely proud to announce the release of Open Babel 2.0.2, the latest stable version of the free chemistry file translation program and chemistry software library. This release represents a bug-fix release and should be a stable upgrade, strongly recommended for all users of Open Babel. Highlights include a large number of SMILES and SMARTS bug fixes, several crashes fixed, and countless bug fixes. What's new? See the full release notes at: http://openbabel.sourceforge.net/wiki/Open_Babel_2.0.2 To download, see: http://sourceforge.net/project/showfiles.php? group_id=40728&package_id=32894&release_id=434410 For more information, see the project website and new wiki at: http://openbabel.sourceforge.net/ Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code contributions. Cheers, -Geoff |
From: Geoffrey H. <ge...@ge...> - 2006-04-17 14:53:22
|
The Open Babel project is extremely proud to announce the release of Open Babel 2.0.1, the latest stable version of the free chemistry file translation program and chemistry software library. This release represents a bug-fix release and should be a stable upgrade, strongly recommended for all users of Open Babel. Highlights include improved memory usage, fixes for compilation problems on AIX, Solaris, Fedora Core, and with the new GCC-4.1 compiler. Several crashes were fixed, and significantly improved scripting wrappers for Perl and Python are available. Support for Cygwin and countless bug fixes are also included. What's new? See the full release notes at: http://openbabel.sourceforge.net/wiki/Open_Babel_2.0.1 To download, see: http://sourceforge.net/project/showfiles.php? group_id=40728&package_id=32894&release_id=410464 For more information, see the project website and new wiki at: http://openbabel.sourceforge.net/ Many thanks to all the contributors to Open Babel including those of you who submitted feedback, bug reports, and code contributions. Particular thanks go to (in no particular order) Craig James, Mikael Johansson, Chris Morley, Noel O'Boyle and Kevin Parkes. Cheers, -Geoff |
From: Geoffrey H. <ge...@ge...> - 2005-11-27 01:12:59
|
I'm extremely proud to announce the release of Open Babel 2.0.0, the =20 latest stable version of the free chemistry file translation program =20 and chemistry software library. This release marks the fourth =20 "birthday" of the Open Babel project and a milestone for a stable, =20 flexible interface for developers and users alike. OpenBabel is a project designed to pick up where Babel left off, as a =20= cross-platform program and library designed to interconvert between =20 many file formats used in molecular modeling, computational chemistry =20= and related areas. Highlights of the 2.0 release include a new conversion framework =20 making it easier to develop new translators, dramatically improved =20 support for merging, splitting, and batch conversion, a framework for =20= molecular fingerprints, similarity searching, a fast molecular =20 database format, support for Perl and Python scripting "wrappers," =20 automatic support for reading .gz (gzip) compressed files, support =20 for the new IUPAC/NIST InChI identifiers and more. What's new? See the release notes at: http://openbabel.sourceforge.net/RELEASE.shtml To download, see: http://prdownloads.sourceforge.net/openbabel/openbabel-2.0.0.tar.gz For more information, see the project website at: http://openbabel.sourceforge.net/ Many thanks to all the contributors to Open Babel. Particular thanks =20 go to (in no particular order) Jean Br=E9fort, Nick England, David =20 Hoekman, Elmar Krieger, Christian Laggner, Chris Morley, and Chris =20 Swain for helping to get this release out the door. Cheers, -Geoff= |
From: Geoff H. <ghu...@ws...> - 2004-02-28 22:12:39
|
The Open Babel team is proud to announce the release of Open Babel 1.100.2, the latest stable release of the free, open-source replacement for the Babel chemistry file translation program and chemistry library. This release fixes a number of important bugs in the 1.100.1 release and represents the first release of a supported shared libopenbabel library under the GPL for developers. For users, this has facilitated the production of a number of handy "obtools" for various chemical tasks. What's new? See the release notes at: http://openbabel.sourceforge.net/RELEASE.shtml To download, see: http://sourceforge.net/project/showfiles.php?group_id=40728 For more information, see the project website at: http://openbabel.sourceforge.net/ Despite the small change in version number, there are quite a few changes and improvements as we move toward a stable 2.0 release. And of course there's more to come! Thanks to everyone who helped make this release, from submitting bug reports, feature requests, patches, and of course files for the roundtrip test suite. The latest version of the roundtrip test suite will be packaged and distributed shortly, with instructions for use in testing. Users who can help to provide binary releases should e-mail the ope...@li... mailing list. Cheers, -Geoff |
From: Geoff H. <ghu...@ws...> - 2004-02-22 21:00:05
|
The Open Babel team is proud to announce the release of Open Babel 1.100.2, the latest stable release of the free, open-source replacement for the Babel chemistry file translation program and chemistry library. This release fixes a number of important bugs in the 1.100.1 release and represents the first release of a supported shared libopenbabel library under the GPL for developers. For users, this has facilitated the production of a number of handy "obtools" for various chemical tasks. What's new? See the release notes at: http://openbabel.sourceforge.net/RELEASE.shtml To download, see: http://sourceforge.net/project/showfiles.php?group_id=40728 For more information, see the project website at: http://openbabel.sourceforge.net/ Despite the small change in version number, there are quite a few changes and improvements as we move toward a stable 2.0 release. And of course there's more to come! Thanks to everyone who helped make this release, from submitting bug reports, feature requests, patches, and of course files for the roundtrip test suite. The latest version of the roundtrip test suite will be packaged and distributed shortly, with instructions for use in testing. Users who can help to provide binary releases should e-mail the ope...@li... mailing list. Cheers, -Geoff |
From: Geoff H. <hut...@ch...> - 2003-06-25 04:00:52
|
The Open Babel team is proud to announce the release of Open Babel 1.100.1, intended as the last planned beta/preview release of the 2.0 version of the free, open-source replacement for the Babel chemistry file translation program and chemistry library. What's new? See the release notes at http://openbabel.sourceforge.net/RELEASE.shtml To download, see http://sourceforge.net/project/showfiles.php?group_id=40728 For more information, see the project website at http://openbabel.sourceforge.net/ Despite the small change in version number, there are quite a few changes and improvements as we move toward a stable 2.0 release. And of course there's more to come! Thanks to everyone who helped make this release, from submitting bug reports, feature requests, patches, and of course files for the roundtrip test suite. Cheers, -Geoff |
From: Geoff H. <hut...@ch...> - 2002-12-19 19:53:35
|
The Open Babel team is pleased to announce the release of Open Babel 1.100, the next step towards the 2.0 version of the free, open-source replacement for the Babel chemistry file translation program. What's new? See the release notes at http://openbabel.sourceforge.net/RELEASE.html To download, see http://sourceforge.net/project/showfiles.php?group_id=40728 For more information, see http://openbabel.sourceforge.net/ Thanks to everyone who helped make this release. There's been quite a lot of progress over the last year! Cheers, -Geoff -- -Geoff Hutchison <hut...@ch...> Marks/Ratner Groups (847) 491-3295 Northwestern Chemistry <http://www.chem.northwestern.edu> |