Open Babel
Open Babel is a community-driven scientific project including both cross-platform programs and a developer library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data.
| Tags | Scientific/Engineering Chemistry Bioinformatics Software Development Libraries |
|---|---|
| Licenses | GPL |
| Operating Systems | Mac OS X Windows Windows POSIX Unix |
| Implementation | C++ |
Recent releases
- 05 Jul 2008 08:28
Changes: 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. An improved developer API and scripting support and many, many bugfixes are also included.
- 08 Jul 2007 00:27
Changes: This release includes fixes for several important crashes and many bugfixes and improvements.
- 07 Apr 2007 23:26
Changes: This release represents a major update and should be a stable upgrade, strongly recommended for all users of Open Babel. Highlights include a new framework for molecular mechanics force fields, a framework for canonical, unique atom numbering (i.e. an open source canonical SMILES implementation), new scripting interfaces in Ruby and Java, enhancements to the developer API, several highly-requested file formats, and many, many bugfixes and improvements.
- 26 Jul 2006 08:16
Changes: A large number of SMILES and SMARTS bugs were fixed. Several crashes were fixed, and countless other bugs were fixed.
- 17 Apr 2006 11:02
Changes: Highlights include improved memory usage and 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 bugfixes are also included.
