| ►NOpenBabel | Global namespace for all Open Babel code |
| ►Ndetail | Nested namespace for max_value templates |
| Cmax_value | A C++ template to return the maximum value of a type (e.g., int) |
| Cmax_value< T, 0 > | A C++ template to return the maximum value of a type (e.g., int) |
| C_AtomExpr | An internal (SMARTS parser) atomic expression |
| C_BondExpr | An internal (SMARTS parser) bond expression |
| CAliasData | Indicate atoms as aliases for larger functional groups |
| CASCIIPainter | |
| CAtomSpec | An internal (SMARTS parser) atom specification |
| CBondSpec | An internal (SMARTS parser) bond specification |
| CCairoPainter | |
| CCharPtrLess | Case insensitive string comparison for PluginMapType key |
| CCommandPainter | |
| CDeleteObject | Functor for deleting containers of pointers. Scott Meyers, Effective STL, Item 7 |
| CDoubleType | Used for internal random number generation OBRandom (unless the system random generator is used) |
| CFastSearch | Class to search fingerprint index files |
| CFastSearchIndexer | Class to prepare fingerprint index files See FastSearch class for details |
| CFilteringInputStream | A stream interface for FilteringInputStreambuf |
| CFilteringInputStreambuf | Delivers characters from an istream or streambuf from a source while filtering |
| CFptIndex | Structure of fastsearch index files |
| CFptIndexHeader | Header for fastsearch index file |
| CGasteigerState | Helper class for OBGastChrg which stores the Gasteiger states of a given atom |
| CLineEndingExtractor | Replaces CRLF (DOS) and CR (Mac OS 9) line endings by LF (POSIX) |
| CLineSearchType | The type of line search to be used for optimization – simple or Newton numeric |
| Cmatrix3x3 | Represents a real 3x3 matrix |
| COBAlign | Perform a least-squares alignment of two molecules or two vectors of vector3 objects |
| COBAngle | Used to hold the 3 atoms in an angle and the angle itself |
| COBAngleData | Used to hold all angles in a molecule as generic data for OBMol |
| COBAromaticTyper | Assigns aromatic typing to atoms and bonds |
| COBAtom | Atom class |
| COBAtomAtomIter | Iterate over all neighboring atoms to an OBAtom |
| COBAtomBondIter | Iterate over all bonds on an OBAtom |
| COBAtomHOF | Helper class for OBAtomicHeatOfFormationTable |
| COBAtomicHeatOfFormationTable | Atomic Heat of Formation Table |
| COBAtomTyper | Assigns atom types, hybridization, and formal charges |
| COBBase | Base Class |
| COBBitVec | A speed-optimized vector of bits |
| COBBond | Bond class |
| COBBondTyper | Assigns bond types for file formats without bond information |
| COBBuilder | Class to build 3D structures |
| COBChainsParser | Perceives peptide or nucleotide chains and residues in an OBMol |
| COBChargeModel | Atomic partial charge models |
| COBChemTsfm | SMARTS based structural modification (chemical transformation) |
| COBCisTransConfig | |
| ►COBCisTransStereo | Class for handling and storing cis/trans stereochemistry |
| CConfig | Stereochemical configuration for double-bond cis/trans stereochemistry |
| COBColor | Color class used by OBDepict |
| COBCommentData | Used to store a comment string (can be multiple lines long) |
| COBConformerData | Used to hold data on conformers or geometry optimization steps |
| COBConformerFilter | Interface used by OBConformerSearch for filtering conformers |
| COBConformerFilters | Class for combining OBConformerFilter objects |
| COBConformerScore | Interface used by OBConformerSearch for scoring conformers |
| COBConformerSearch | Conformer searching using genetic algorithm. See Conformer Searching |
| ►COBConversion | Class to convert from one format to another |
| CStreamState | |
| COBDepict | 2D depiction of molecules using OBPainter |
| COBDescriptor | Base class for molecular properties, descriptors or features |
| COBDOSData | Used to hold density of states information |
| COBElectronicTransitionData | Used to hold information about electronic transitions |
| COBEnergyConformerScore | A lowest energy conformer scoring class |
| COBError | Customizable error handling and logging – store a message, including the method yielding the error, causes, etc |
| COBExternalBond | Used to store information on an external bond (e.g., SMILES fragments) |
| COBExternalBondData | Used to store information on external bonds (e.g., in SMILES fragments) |
| COBFFCalculation2 | Internal class for OBForceField to hold energy and gradient calculations on specific force fields |
| COBFFCalculation3 | Internal class for OBForceField to hold energy and gradient calculations on specific force fields |
| COBFFCalculation4 | Internal class for OBForceField to hold energy and gradient calculations on specific force fields |
| COBFFConstraint | Internal class for OBForceField to hold constraints |
| COBFFConstraints | Internal class for OBForceField to handle constraints |
| COBFFParameter | Internal class for OBForceField to hold forcefield parameters |
| COBFingerprint | The base class for fingerprints |
| COBFloatGrid | Handle double precision floating point 3D grids (e.g., charge density around an OBMol) |
| COBFontMetrics | Font metrics class used by OBDepict |
| COBForceField | Base class for molecular mechanics force fields |
| COBFormat | Base class for file formats |
| COBFreeGrid | Handle double precision floating point data with coordinates not on a grid Can hold array of random coordinates and associated values |
| COBFreeGridPoint | Helper class for OBFreeGrid Can hold a random coordinate and associated value |
| COBGastChrg | Assigns Gasteiger partial charges |
| COBGenericData | Base class for generic data |
| COBGlobalDataBase | Base data table class, handles reading data files |
| COBGraphSym | Handle and perceive graph symmtery for canonical numbering |
| COBGrid | A base grid class |
| COBGridData | Store values for numeric grids such as orbitals or electrostatic potential |
| COBGroupContrib | Handle group contribution algorithms |
| COBInternalCoord | Used to transform from z-matrix to cartesian coordinates |
| ►COBIsomorphismMapper | Abstract class defining interface for isomorphism (i.e. substructure) searches |
| CFunctor | Functor base class to be used in combination with MapGeneric |
| COBLocale | Handle the locale for numeric data parsing |
| CobLogBuf | A minimal streambuf derivative to wrap calls to cerr into calls to OBMessageHandler as needed |
| COBMatrixData | Used to hold a 3x3 matrix item (e.g., a quadrupole moment) |
| COBMessageHandler | Handle error messages, warnings, debugging information and the like |
| COBMinimizingEnergyConformerScore | A lowest energy conformer scoring class (after minimization) |
| COBMinimizingRMSDConformerScore | An RMSD conformer scoring class, after a short minimization |
| COBMol | Molecule Class |
| COBMolAngleIter | Iterate over all angles in an OBMol |
| COBMolAtomBFSIter | Iterate over all atoms in an OBMol in a breadth-first search (BFS) |
| COBMolAtomDFSIter | Iterate over all atoms in an OBMol in a depth-first search (DFS) |
| COBMolAtomIter | Iterate over all atoms in an OBMol |
| COBMolBondBFSIter | Iterate over all bonds in an OBMol in a breadth-first search (BFS) |
| COBMolBondIter | Iterate over all bonds in an OBMol |
| COBMoleculeFormat | An OBFormat convenience subclass for conversion to/from OBMol data |
| COBMolPairIter | Iterate over all pairs of atoms (>1-4) in an OBMol |
| COBMolRingIter | Iterate over all rings in an OBMol |
| COBMolTorsionIter | Iterate over all torsions in an OBMol |
| COBNasaThermoData | Thermodynamic data in old style NASA polynomial form for OBMol |
| COBOp | Operations to modify molecules before output |
| COBOrbital | Used to store energy, occupation, and orbital symmetry of a particular orbital |
| COBOrbitalData | Used to hold information about orbital energies |
| COBPainter | Abstract painter base class used by OBDepict |
| COBPairData | Used to store arbitrary text attribute/value relationships |
| COBPairTemplate | Used to store arbitrary attribute/value relationsips of any type |
| COBPcharge | |
| COBPhModel | Corrections for pH used by OBMol::CorrectForPH() |
| COBPlugin | Base class for all types of dynamic classes discovered at runtime |
| COBPointGroup | Brute-force point group symmetry perception |
| COBProxGrid | A grid for determining the proximity of a given point to atoms in an OBMol |
| COBQuery | A substructure query |
| COBQueryAtom | Atom in an OBQuery |
| COBQueryBond | Bond in an OBQuery |
| COBRandom | Random number generator |
| COBRateData | Holds rate constant data for OBReaction |
| COBReaction | Used to store chemical reactions (i.e., reactants -> products) |
| COBReactionFacade | Facade to simplify manipulation of reactions stored as OBMol objects |
| COBResidue | Residue information |
| COBResidueAtomIter | Iterate over all atoms in an OBResidue |
| COBResidueData | Table of common biomolecule residues (for PDB or other files) |
| COBResidueIter | Iterate over all residues in an OBMol |
| COBRing | Stores information on rings in a molecule from SSSR perception |
| COBRingData | Used to store the SSSR set (filled in by OBMol::GetSSSR()) |
| COBRingSearch | Internal class to facilitate OBMol::FindSSSR() |
| COBRingTyper | Assigns ring types |
| COBRMSDConformerScore | A RMSD conformer scoring class |
| COBRotamerList | Supports a set of rotamer coordinate sets for some number of potentially rotatable bonds |
| COBRotationData | Used to hold the rotational constants and symmetry numbers |
| COBRotor | A single rotatable OBBond as part of rotamer searching |
| COBRotorKeys | A class to generate all possible rotorKeys |
| COBRotorList | Given an OBMol, set up a list of possibly rotatable torsions, |
| COBRotorRule | A rule for torsional conformer searching, defined by a SMARTS pattern |
| COBRotorRules | Database of default hybridization torsional rules and SMARTS-defined OBRotorRule objects |
| COBRTree | Internal class for OBRing search algorithms to create a search tree of OBAtom objects |
| COBScoreGrid | A base class for scoring docking interactions between multiple molecules |
| COBSerialNums | Defines a map between serial numbers (e.g., in a PDB file) and OBAtom objects inside a molecule |
| COBSetData | Used to store arbitrary attribute/set relationships. Should be used to store a set of OBGenericData based on an attribute |
| COBSmartsMatcher | Internal class: performs matching; a wrapper around previous C matching code to make it thread safe |
| COBSmartsPattern | SMARTS (SMiles ARbitrary Target Specification) substructure searching |
| COBSpectrophore | Class to compute Spectrophores™ |
| COBSqrtTbl | Square Root lookup table - given a distance squared returns distance |
| COBSquarePlanarConfig | |
| ►COBSquarePlanarStereo | Class for handling and storing square planar stereochemistry |
| CConfig | Stereochemical configuration for square planar stereocenters |
| COBSSMatch | Internal class: performs fast, exhaustive matching used to find just a single match in match() using recursion and explicit stack handling |
| COBStereo | Placeholder for enums & Ref/Refs related functions |
| COBStereoBase | Base class for all stereochemistry classes |
| COBStereoFacade | Facade to simplify retrieval of OBStereoBase derived objects |
| COBStereoUnit | Struct representing a single stereogenic unit |
| COBStericConformerFilter | A steric conformer filter class |
| COBStopwatch | Stopwatch class used for timing length of execution |
| COBSymmetryData | Used to hold the point-group and/or space-group symmetry |
| COBTetrahedralConfig | |
| ►COBTetrahedralStereo | Class for handling and storing tetrahedral atom stereochemistry |
| CConfig | Stereochemical configuration for tetrahedral stereocenters |
| COBTetraNonPlanarStereo | Base class for handling and storing non-planar stereochemistry with 4 reference atom ids |
| COBTetraPlanarStereo | Base class for handling and storing planar stereochemistry with 4 reference atoms |
| COBText | An object containing just text |
| COBTorsion | Used to hold the torsion data for a single rotatable bond and all four atoms around it |
| COBTorsionData | Used to hold torsions as generic data for OBMol |
| COBTypeTable | Atom Type Translation Table |
| COBUnitCell | Used for storing information about periodic boundary conditions with conversion to/from translation vectors and (a, b, c, alpha, beta, gamma) |
| COBVectorData | Used to hold a 3D vector item (e.g., a dipole moment) |
| COBVibrationData | Used to hold the normal modes of a molecule, etc |
| COBVirtualBond | Used to temporarily store bonds that reference an atom that has not yet been added to a molecule |
| COpTransform | Applies molecular reactions/transforms (OBChemTsfm class) read from a datafile |
| CParseState | A SMARTS parser internal state |
| CPattern | A SMARTS parser internal pattern |
| Cpatty | Programmable Atom Typer |
| Cquad | A 4-element templated, based on the design of the STL pair<> |
| CSpaceGroup | Handle crystallographic space group symmetry |
| CTautomerFunctor | |
| Ctransform3d | Handle 3D transformations, such as space group definitions |
| Ctriple | A 3-element templated, based on the design of the STL pair<> |
| Cvector3 | Represents a vector in 3-dimensional real space |
| CXMLBaseFormat | Abstract class containing common functionality for XML formats |
| CXMLConversion | A subclass for conversion of XML formats |
| CXMLMoleculeFormat | Abstract class for XML formats which represent molecules |
| CDLHandler | Interface for dynamic libraries |
