List of Classes

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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