List of Classes
From Open Babel
This page includes a list of the major classes in the Open Babel library, including links to their documentation on this wiki, as well as links to the automatically generated API documentation for the current stable release and the current development (beta) release.
| Class | Description | Current API Documentation | Development API Documentation |
|---|---|---|---|
| OBMol | Main molecule class | X | X |
| OBAtom | Main atom class | X | X |
| OBBond | Bond connection between two OBAtom, properties, bond orders, ... | X | X |
| OBResidue | Biomolecule residues (amino acids, nucleic acids) | X | X |
| OBRing | Ring cycle perception, Smallest Set of Smallest Rings (SSSR) | X | X |
| OBConversion | Conversion between file formats. Interface for import or export | X | X |
| OBFormat | Parent class for file format types for any sort of data | X | X |
| OBBitVec | Efficient bit vector (e.g., for marking visit to atoms) | X | X |
| OBMessageHandler | Error and warning handling, filtering, and logging | X | X |
| OBSmartsPattern | Parsing SMARTS chemical search patterns and matching against OBMol objects | X | X |
| OBBase | General base class of OBAtom, OBMol, OBResidue, etc. for storing generic, arbitrary custom data | X | X |
| OBGenericData | General base class for arbitrary data types | X | X |
| OBPairData | Arbitrary text key/value data for all atoms, bonds, residues, or molecules | X | X |
| OBUnitCell | Storage and manipulation of crystal structure / reciprocal unit cells | X | X |
| matrix3x3 | Square 3x3 matrices for 3D transformations and rotations | X | X |
| vector3 | 3D vector class for translations and planes | X | X |
