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:
For more information, see the project website at:
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.