Open Babel

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 ... [More] 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://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 [Less]

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 ... [More] 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. [Less]

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 ... [More] 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. [Less]

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 ... [More] 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. [Less]

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 ... [More] 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. [Less]

A paper on the Python interface to OpenBabel, Pybel, has just been published in the new Open Access journal, Chemistry Central Journal: Noel M O'Boyle, Chris Morley and Geoffrey R Hutchison. Pybel: a Python wrapper for the OpenBabel ... [More] cheminformatics toolkit. Chemistry Central Journal 2008, 2, 5. http://dx.doi.org/10.1186/1752-153X-2-5 Pybel allows cheminformaticians to rapidly develop Python scripts that manipulate chemical information. It is open source, available cross-platform, and offers the power of the OpenBabel toolkit to Python programmers. For more information, see the OpenBabel wiki: http://openbabel.org/wiki/Python [Less]

A paper on the Python interface to OpenBabel, Pybel, has just been published in the new Open Access journal, Chemistry Central Journal: Noel M O'Boyle, Chris Morley and Geoffrey R Hutchison. Pybel: a Python wrapper for the OpenBabel cheminformatics ... [More] toolkit. Chemistry Central Journal 2008, 2, 5. http://dx.doi.org/10.1186/1752-153X-2-5 Pybel allows cheminformaticians to rapidly develop Python scripts that manipulate chemical information. It is open source, available cross-platform, and offers the power of the OpenBabel toolkit to Python programmers. For more information, see the OpenBabel wiki: http://openbabel.org/wiki/Python [Less]

Due to slow performance with the SourceForge.net webserver, we have moved the Open Babel website to: http://openbabel.org/

Due to slow performance with the SourceForge.net webserver, we have moved the Open Babel website to: http://openbabel.org/

The Open Babel project is 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 ... [More] 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. [Less]