openbabel
3.1.1
About: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
![]() ![]() |
Throughout the API documentation, new classes and methods are indicated with a disclaimer "Since: version 2.1." Documentation, in general should be more thorough and complete.
One major change is that the library uses the same header #include
paths as external code. This documentation attempts to uniformly use the correct style, e.g.: #include <openbabel/mol.h>
Another major change was to increase the indexing of atoms and bonds. Previously only 2^16 atoms or bonds were possible.
The OBNodeBase, OBEdgeBase, and OBGraphBase classes were deprecated. Typedef declarations provided backwards compatibility by mapping to OBAtom, OBBond, and OBMol, respectively.
In addition, this page gives a general list of additions to the library.