Open Babel 2.2.0

Open Babel 2.2.0 will be released on 2008-07-04.

Release Notice

This release represents a major update and should be a stable upgrade, strongly recommended for all users of Open Babel. Highlights include ...

New support for 3D coordinate generation using the OBBuilder class
Significantly faster force fields (up to 200x faster).
New force fields, including complete UFF, MMFF94, and MMFF94s implementations.
Monte Carlo conformer search support, including the new obconformer tool.
A new "descriptor" plugin framework for QSAR descriptors.
A new "filter" plugin framework for selecting molecules by title, molecular weight, etc.
Facility to add new "operations" on the conversion process as plugin code, including coordinate generation, etc.
Code for integrating Open Babel and RDKit.
Code for integrating Open Babel and the BOOST graph library.
Improved scripting support, including new bindings for C#.
Space group support.
3D Point group symmetry perception.
Improved support for "grids" or "cubes" of molecular data, such as from quantum mechanics programs. (See below for supported file formats.)
Initial support for reading trajectories and animations.
File format modules are now installed in a version-specific directory, preventing problems between 2.2.x and 2.1.x (or older) plugin libraries.
MDL SDF format and other 2D formats now support "aliases" for group abbreviations, such as COOH.
Many more bug fixes and small feature improvements.