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<div class="textblock">Here are the classes, structs, unions and interfaces with brief descriptions:</div><table>
<tr><td class="indexkey"><a class="el" href="unionOpenBabel_1_1__AtomExpr.shtml">_AtomExpr</a></td><td class="indexvalue">An internal (SMARTS parser) atomic expression </td></tr>
<tr><td class="indexkey"><a class="el" href="unionOpenBabel_1_1__BondExpr.shtml">_BondExpr</a></td><td class="indexvalue">An internal (SMARTS parser) bond expression </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1AliasData.shtml">AliasData</a></td><td class="indexvalue">Indicate atoms as aliases for larger functional groups </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1AtomSpec.shtml">AtomSpec</a></td><td class="indexvalue">An internal (SMARTS parser) atom specification </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1BondSpec.shtml">BondSpec</a></td><td class="indexvalue">An internal (SMARTS parser) bond specification </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1CairoPainter.shtml">CairoPainter</a></td><td class="indexvalue"></td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1CharPtrLess.shtml">CharPtrLess</a></td><td class="indexvalue">Case insensitive string comparison for PluginMapType key </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">OBCisTransStereo::Config</a></td><td class="indexvalue">Stereochemical configuration for double-bond cis/trans stereochemistry </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBSquarePlanarStereo_1_1Config.shtml">OBSquarePlanarStereo::Config</a></td><td class="indexvalue">Stereochemical configuration for square planar stereocenters </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBTetrahedralStereo_1_1Config.shtml">OBTetrahedralStereo::Config</a></td><td class="indexvalue">Stereochemical configuration for tetrahedral stereocenters </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1DeleteObject.shtml">DeleteObject</a></td><td class="indexvalue">Functor for deleting containers of pointers. Scott Meyers, Effective STL, Item 7 </td></tr>
<tr><td class="indexkey"><a class="el" href="classDLHandler.shtml">DLHandler</a></td><td class="indexvalue">Interface for dynamic libraries </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1DoubleType.shtml">DoubleType</a></td><td class="indexvalue">Used for internal random number generation <a class="el" href="classOpenBabel_1_1OBRandom.shtml" title="Random number generator.">OBRandom</a> (unless the system random generator is used) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1FastSearch.shtml">FastSearch</a></td><td class="indexvalue">Class to search fingerprint index files </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1FastSearchIndexer.shtml">FastSearchIndexer</a></td><td class="indexvalue">Class to prepare fingerprint index files See <a class="el" href="classOpenBabel_1_1FastSearch.shtml" title="Class to search fingerprint index files.">FastSearch</a> class for details </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1FilteringInputStreambuf.shtml">FilteringInputStreambuf< Extractor ></a></td><td class="indexvalue">Delivers characters from an istream or streambuf from a source while filtering </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1FptIndex.shtml">FptIndex</a></td><td class="indexvalue">Structure of fastsearch index files </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1FptIndexHeader.shtml">FptIndexHeader</a></td><td class="indexvalue">Header for fastsearch index file </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBIsomorphismMapper_1_1Functor.shtml">OBIsomorphismMapper::Functor</a></td><td class="indexvalue"><a class="el" href="classOpenBabel_1_1OBIsomorphismMapper_1_1Functor.shtml" title="Functor base class to be used in combination with MapGeneric.">Functor</a> base class to be used in combination with MapGeneric </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1GasteigerState.shtml">GasteigerState</a></td><td class="indexvalue">Helper class for <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml" title="Assigns Gasteiger partial charges.">OBGastChrg</a> which stores the Gasteiger states of a given atom </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1LineEndingExtractor.shtml">LineEndingExtractor</a></td><td class="indexvalue">Replaces CRLF (DOS) and CR (Mac OS 9) line endings by LF (POSIX) </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1LineSearchType.shtml">LineSearchType</a></td><td class="indexvalue">The type of line search to be used for optimization -- simple or Newton numeric </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1matrix3x3.shtml">matrix3x3</a></td><td class="indexvalue">Represents a real 3x3 matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1detail_1_1max__value.shtml">max_value< T, size ></a></td><td class="indexvalue">A C++ template to return the maximum value of a type (e.g., int) </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1detail_1_1max__value_3_01T_00_010_01_4.shtml">max_value< T, 0 ></a></td><td class="indexvalue">A C++ template to return the maximum value of a type (e.g., int) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAlign.shtml">OBAlign</a></td><td class="indexvalue">Perform a least-squares alignment of two molecules or two vectors of <a class="el" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAngle.shtml">OBAngle</a></td><td class="indexvalue">Used to hold the 3 atoms in an angle and the angle itself </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAngleData.shtml">OBAngleData</a></td><td class="indexvalue">Used to hold all angles in a molecule as generic data for <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAromaticTyper.shtml">OBAromaticTyper</a></td><td class="indexvalue">Assigns aromatic typing to atoms and bonds </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a></td><td class="indexvalue">Atom class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAtomAtomIter.shtml">OBAtomAtomIter</a></td><td class="indexvalue">Iterate over all neighboring atoms to an <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAtomBondIter.shtml">OBAtomBondIter</a></td><td class="indexvalue">Iterate over all bonds on an <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAtomClassData.shtml">OBAtomClassData</a></td><td class="indexvalue">Handle atom classes in reaction SMILES/SMIRKS </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBAtomTyper.shtml">OBAtomTyper</a></td><td class="indexvalue">Assigns atom types, hybridization, implicit valence and formal charges </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a></td><td class="indexvalue">Base Class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBBitVec.shtml">OBBitVec</a></td><td class="indexvalue">A speed-optimized vector of bits </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBBond.shtml">OBBond</a></td><td class="indexvalue">Bond class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBBondTyper.shtml">OBBondTyper</a></td><td class="indexvalue">Assigns bond types for file formats without bond information </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml">OBBuilder</a></td><td class="indexvalue">Class to build 3D structures </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBChainsParser.shtml">OBChainsParser</a></td><td class="indexvalue">Perceives peptide or nucleotide chains and residues in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBChargeModel.shtml">OBChargeModel</a></td><td class="indexvalue">Atomic partial charge models </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBChemTsfm.shtml">OBChemTsfm</a></td><td class="indexvalue">SMARTS based structural modification (chemical transformation) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBChiralData.shtml">OBChiralData</a></td><td class="indexvalue">Used to hold chiral inforamtion about the atom as <a class="el" href="classOpenBabel_1_1OBGenericData.shtml" title="Base class for generic data.">OBGenericData</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml">OBCisTransStereo</a></td><td class="indexvalue">Class for handling and storing cis/trans stereochemistry </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBColor.shtml">OBColor</a></td><td class="indexvalue">Color class used by <a class="el" href="classOpenBabel_1_1OBDepict.shtml" title="2D depiction of molecules using OBPainter.">OBDepict</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBCommentData.shtml">OBCommentData</a></td><td class="indexvalue">Used to store a comment string (can be multiple lines long) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBConformerData.shtml">OBConformerData</a></td><td class="indexvalue">Used to hold data on conformers or geometry optimization steps </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBConformerFilter.shtml">OBConformerFilter</a></td><td class="indexvalue">Interface used by <a class="el" href="classOpenBabel_1_1OBConformerSearch.shtml" title="Conformer searching using genetic algorithm. See Conformer Searching.">OBConformerSearch</a> for filtering conformers </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBConformerFilters.shtml">OBConformerFilters</a></td><td class="indexvalue">Class for combining <a class="el" href="classOpenBabel_1_1OBConformerFilter.shtml" title="Interface used by OBConformerSearch for filtering conformers.">OBConformerFilter</a> objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBConformerScore.shtml">OBConformerScore</a></td><td class="indexvalue">Interface used by <a class="el" href="classOpenBabel_1_1OBConformerSearch.shtml" title="Conformer searching using genetic algorithm. See Conformer Searching.">OBConformerSearch</a> for scoring conformers </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBConformerSearch.shtml">OBConformerSearch</a></td><td class="indexvalue">Conformer searching using genetic algorithm. See <a class="el" href="group__conformer.shtml">Conformer Searching</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBConversion.shtml">OBConversion</a></td><td class="indexvalue">Class to convert from one format to another </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBDepict.shtml">OBDepict</a></td><td class="indexvalue">2D depiction of molecules using <a class="el" href="classOpenBabel_1_1OBPainter.shtml" title="Abstract painter base class used by OBDepict.">OBPainter</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBDescriptor.shtml">OBDescriptor</a></td><td class="indexvalue">Base class for molecular properties, descriptors or features </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBDOSData.shtml">OBDOSData</a></td><td class="indexvalue">Used to hold density of states information </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBElectronicTransitionData.shtml">OBElectronicTransitionData</a></td><td class="indexvalue">Used to hold information about electronic transitions </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBElement.shtml">OBElement</a></td><td class="indexvalue">Individual element data type </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBElementTable.shtml">OBElementTable</a></td><td class="indexvalue">Periodic Table of the Elements </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBEnergyConformerScore.shtml">OBEnergyConformerScore</a></td><td class="indexvalue">A lowest energy conformer scoring class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBError.shtml">OBError</a></td><td class="indexvalue">Customizable error handling and logging -- store a message, including the method yielding the error, causes, etc </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBExternalBond.shtml">OBExternalBond</a></td><td class="indexvalue">Used to store information on an external bond (e.g., SMILES fragments) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBExternalBondData.shtml">OBExternalBondData</a></td><td class="indexvalue">Used to store information on external bonds (e.g., in SMILES fragments) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFFCalculation2.shtml">OBFFCalculation2</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> to hold energy and gradient calculations on specific force fields </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFFCalculation3.shtml">OBFFCalculation3</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> to hold energy and gradient calculations on specific force fields </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFFCalculation4.shtml">OBFFCalculation4</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> to hold energy and gradient calculations on specific force fields </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFFConstraint.shtml">OBFFConstraint</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> to hold constraints </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml">OBFFConstraints</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> to handle constraints </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFFParameter.shtml">OBFFParameter</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> to hold forcefield parameters </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFingerprint.shtml">OBFingerprint</a></td><td class="indexvalue">The base class for fingerprints </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml">OBFloatGrid</a></td><td class="indexvalue">Handle double precision floating point 3D grids (e.g., charge density around an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>) </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBFontMetrics.shtml">OBFontMetrics</a></td><td class="indexvalue">Font metrics class used by <a class="el" href="classOpenBabel_1_1OBDepict.shtml" title="2D depiction of molecules using OBPainter.">OBDepict</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td class="indexvalue">Base class for molecular mechanics force fields </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBFormat.shtml">OBFormat</a></td><td class="indexvalue">Base class for file formats </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGastChrg.shtml">OBGastChrg</a></td><td class="indexvalue">Assigns Gasteiger partial charges </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td class="indexvalue">Base class for generic data </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGlobalDataBase.shtml">OBGlobalDataBase</a></td><td class="indexvalue">Base data table class, handles reading data files </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGraphSym.shtml">OBGraphSym</a></td><td class="indexvalue">Handle and perceive graph symmtery for canonical numbering </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGrid.shtml">OBGrid</a></td><td class="indexvalue">A base grid class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td class="indexvalue">Store values for numeric grids such as orbitals or electrostatic potential </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBGroupContrib.shtml">OBGroupContrib</a></td><td class="indexvalue">Handle group contribution algorithms </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBInternalCoord.shtml">OBInternalCoord</a></td><td class="indexvalue">Used to transform from z-matrix to cartesian coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBIsomorphismMapper.shtml">OBIsomorphismMapper</a></td><td class="indexvalue">Abstract class defining interface for isomorphism (i.e. substructure) searches </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBIsotopeTable.shtml">OBIsotopeTable</a></td><td class="indexvalue">Table of atomic isotope masses </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBLocale.shtml">OBLocale</a></td><td class="indexvalue">Handle the locale for numeric data parsing </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1obLogBuf.shtml">obLogBuf</a></td><td class="indexvalue">A minimal streambuf derivative to wrap calls to cerr into calls to <a class="el" href="classOpenBabel_1_1OBMessageHandler.shtml" title="Handle error messages, warnings, debugging information and the like.">OBMessageHandler</a> as needed </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMatrixData.shtml">OBMatrixData</a></td><td class="indexvalue">Used to hold a 3x3 matrix item (e.g., a quadrupole moment) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMessageHandler.shtml">OBMessageHandler</a></td><td class="indexvalue">Handle error messages, warnings, debugging information and the like </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a></td><td class="indexvalue">Molecule Class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolAngleIter.shtml">OBMolAngleIter</a></td><td class="indexvalue">Iterate over all angles in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolAtomBFSIter.shtml">OBMolAtomBFSIter</a></td><td class="indexvalue">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> in a breadth-first search (BFS) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolAtomDFSIter.shtml">OBMolAtomDFSIter</a></td><td class="indexvalue">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> in a depth-first search (DFS) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolAtomIter.shtml">OBMolAtomIter</a></td><td class="indexvalue">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolBondBFSIter.shtml">OBMolBondBFSIter</a></td><td class="indexvalue">Iterate over all bonds in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> in a breadth-first search (BFS) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolBondIter.shtml">OBMolBondIter</a></td><td class="indexvalue">Iterate over all bonds in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMoleculeFormat.shtml">OBMoleculeFormat</a></td><td class="indexvalue">An <a class="el" href="classOpenBabel_1_1OBFormat.shtml" title="Base class for file formats.">OBFormat</a> convenience subclass for conversion to/from <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> data </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolPairIter.shtml">OBMolPairIter</a></td><td class="indexvalue">Iterate over all pairs of atoms (>1-4) in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolRingIter.shtml">OBMolRingIter</a></td><td class="indexvalue">Iterate over all rings in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBMolTorsionIter.shtml">OBMolTorsionIter</a></td><td class="indexvalue">Iterate over all torsions in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBNasaThermoData.shtml">OBNasaThermoData</a></td><td class="indexvalue">Thermodynamic data in old style NASA polynomial form for <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBOp.shtml">OBOp</a></td><td class="indexvalue">Operations to modify molecules before output </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBOrbital.shtml">OBOrbital</a></td><td class="indexvalue">Used to store energy, occupation, and orbital symmetry of a particular orbital </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBOrbitalData.shtml">OBOrbitalData</a></td><td class="indexvalue">Used to hold information about orbital energies </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBPainter.shtml">OBPainter</a></td><td class="indexvalue">Abstract painter base class used by <a class="el" href="classOpenBabel_1_1OBDepict.shtml" title="2D depiction of molecules using OBPainter.">OBDepict</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBPairData.shtml">OBPairData</a></td><td class="indexvalue">Used to store arbitrary text attribute/value relationships </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBPairTemplate.shtml">OBPairTemplate< ValueT ></a></td><td class="indexvalue">Used to store arbitrary attribute/value relationsips of any type </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBPhModel.shtml">OBPhModel</a></td><td class="indexvalue">Corrections for pH used by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a7af037d80801b43ae5450bd74004d669" title="Correct for pH by applying the OBPhModel transformations.">OBMol::CorrectForPH()</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td class="indexvalue">Base class for all types of dynamic classes discovered at runtime </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBPointGroup.shtml">OBPointGroup</a></td><td class="indexvalue">Brute-force point group symmetry perception </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBProxGrid.shtml">OBProxGrid</a></td><td class="indexvalue">A grid for determining the proximity of a given point to atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBQuery.shtml">OBQuery</a></td><td class="indexvalue">A substructure query </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a></td><td class="indexvalue">Atom in an <a class="el" href="classOpenBabel_1_1OBQuery.shtml" title="A substructure query.">OBQuery</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a></td><td class="indexvalue">Bond in an <a class="el" href="classOpenBabel_1_1OBQuery.shtml" title="A substructure query.">OBQuery</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRandom.shtml">OBRandom</a></td><td class="indexvalue">Random number generator </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRateData.shtml">OBRateData</a></td><td class="indexvalue">Holds rate constant data for <a class="el" href="classOpenBabel_1_1OBReaction.shtml" title="Used to store chemical reactions (i.e., reactants -> products)">OBReaction</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBReaction.shtml">OBReaction</a></td><td class="indexvalue">Used to store chemical reactions (i.e., reactants -> products) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBResidue.shtml">OBResidue</a></td><td class="indexvalue">Residue information </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBResidueAtomIter.shtml">OBResidueAtomIter</a></td><td class="indexvalue">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBResidueData.shtml">OBResidueData</a></td><td class="indexvalue">Table of common biomolecule residues (for PDB or other files) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBResidueIter.shtml">OBResidueIter</a></td><td class="indexvalue">Iterate over all residues in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRing.shtml">OBRing</a></td><td class="indexvalue">Stores information on rings in a molecule from SSSR perception </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRingData.shtml">OBRingData</a></td><td class="indexvalue">Used to store the SSSR set (filled in by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a0f6bce457ef6f963b8e4ba7c4be23775" title="Implements blue-obelisk:findSmallestSetOfSmallestRings.">OBMol::GetSSSR()</a>) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml">OBRingSearch</a></td><td class="indexvalue">Internal class to facilitate <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477" title="Find Smallest Set of Smallest Rings (see OBRing class for more details)">OBMol::FindSSSR()</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRingTyper.shtml">OBRingTyper</a></td><td class="indexvalue">Assigns ring types </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRMSDConformerScore.shtml">OBRMSDConformerScore</a></td><td class="indexvalue">A RMSD conformer scoring class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotamerList.shtml">OBRotamerList</a></td><td class="indexvalue">Supports a set of rotamer coordinate sets for some number of potentially rotatable bonds </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotationData.shtml">OBRotationData</a></td><td class="indexvalue">Used to hold the rotational constants and symmetry numbers </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotor.shtml">OBRotor</a></td><td class="indexvalue">A single rotatable <a class="el" href="classOpenBabel_1_1OBBond.shtml" title="Bond class.">OBBond</a> as part of rotamer searching </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotorKeys.shtml">OBRotorKeys</a></td><td class="indexvalue">A class to generate all possible rotorKeys </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotorList.shtml">OBRotorList</a></td><td class="indexvalue">Given an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>, set up a list of possibly rotatable torsions, </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotorRule.shtml">OBRotorRule</a></td><td class="indexvalue">A rule for torsional conformer searching, defined by a SMARTS pattern </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRotorRules.shtml">OBRotorRules</a></td><td class="indexvalue">Database of default hybridization torsional rules and SMARTS-defined <a class="el" href="classOpenBabel_1_1OBRotorRule.shtml" title="A rule for torsional conformer searching, defined by a SMARTS pattern.">OBRotorRule</a> objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBRTree.shtml">OBRTree</a></td><td class="indexvalue">Internal class for <a class="el" href="classOpenBabel_1_1OBRing.shtml" title="Stores information on rings in a molecule from SSSR perception.">OBRing</a> search algorithms to create a search tree of <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBScoreGrid.shtml">OBScoreGrid</a></td><td class="indexvalue">A base class for scoring docking interactions between multiple molecules </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSerialNums.shtml">OBSerialNums</a></td><td class="indexvalue">Defines a map between serial numbers (e.g., in a PDB file) and <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> objects inside a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSetData.shtml">OBSetData</a></td><td class="indexvalue">Used to store arbitrary attribute/set relationships. Should be used to store a set of <a class="el" href="classOpenBabel_1_1OBGenericData.shtml" title="Base class for generic data.">OBGenericData</a> based on an attribute </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSmartsMatcher.shtml">OBSmartsMatcher</a></td><td class="indexvalue">Internal class: performs matching; a wrapper around previous C matching code to make it thread safe </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSmartsPattern.shtml">OBSmartsPattern</a></td><td class="indexvalue">SMARTS (SMiles ARbitrary Target Specification) substructure searching </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSpectrophore.shtml">OBSpectrophore</a></td><td class="indexvalue">Class to compute Spectrophores™ </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSqrtTbl.shtml">OBSqrtTbl</a></td><td class="indexvalue">Square Root lookup table - given a distance squared returns distance </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSquarePlanarStereo.shtml">OBSquarePlanarStereo</a></td><td class="indexvalue">Class for handling and storing square planar stereochemistry </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSSMatch.shtml">OBSSMatch</a></td><td class="indexvalue">Internal class: performs fast, exhaustive matching used to find just a single match in match() using recursion and explicit stack handling </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBStereo.shtml">OBStereo</a></td><td class="indexvalue">Placeholder for enums & Ref/Refs related functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml">OBStereoBase</a></td><td class="indexvalue">Base class for all stereochemistry classes </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBStereoFacade.shtml">OBStereoFacade</a></td><td class="indexvalue">Facade to simplify retrieval of <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes.">OBStereoBase</a> derived objects </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1OBStereoUnit.shtml">OBStereoUnit</a></td><td class="indexvalue">Struct representing a single stereogenic unit </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBStericConformerFilter.shtml">OBStericConformerFilter</a></td><td class="indexvalue">A steric conformer filter class </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBStopwatch.shtml">OBStopwatch</a></td><td class="indexvalue">Stopwatch class used for timing length of execution </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBSymmetryData.shtml">OBSymmetryData</a></td><td class="indexvalue">Used to hold the point-group and/or space-group symmetry </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBTetrahedralStereo.shtml">OBTetrahedralStereo</a></td><td class="indexvalue">Class for handling and storing tetrahedral atom stereochemistry </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBTetraNonPlanarStereo.shtml">OBTetraNonPlanarStereo</a></td><td class="indexvalue">Base class for handling and storing non-planar stereochemistry with 4 reference atom ids </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBTetraPlanarStereo.shtml">OBTetraPlanarStereo</a></td><td class="indexvalue">Base class for handling and storing planar stereochemistry with 4 reference atoms </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBText.shtml">OBText</a></td><td class="indexvalue">An object containing just text </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBTorsion.shtml">OBTorsion</a></td><td class="indexvalue">Used to hold the torsion data for a single rotatable bond and all four atoms around it </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBTorsionData.shtml">OBTorsionData</a></td><td class="indexvalue">Used to hold torsions as generic data for <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBTypeTable.shtml">OBTypeTable</a></td><td class="indexvalue">Atom Type Translation Table </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBUnitCell.shtml">OBUnitCell</a></td><td class="indexvalue">Used for storing information about periodic boundary conditions with conversion to/from translation vectors and (a, b, c, alpha, beta, gamma) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBVectorData.shtml">OBVectorData</a></td><td class="indexvalue">Used to hold a 3D vector item (e.g., a dipole moment) </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBVibrationData.shtml">OBVibrationData</a></td><td class="indexvalue">Used to hold the normal modes of a molecule, etc </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OBVirtualBond.shtml">OBVirtualBond</a></td><td class="indexvalue">Used to temporarily store bonds that reference an atom that has not yet been added to a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1OpTransform.shtml">OpTransform</a></td><td class="indexvalue">Applies molecular reactions/transforms (<a class="el" href="classOpenBabel_1_1OBChemTsfm.shtml" title="SMARTS based structural modification (chemical transformation)">OBChemTsfm</a> class) read from a datafile </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1ParseState.shtml">ParseState</a></td><td class="indexvalue">A SMARTS parser internal state </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1Pattern.shtml">Pattern</a></td><td class="indexvalue">A SMARTS parser internal pattern </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1patty.shtml">patty</a></td><td class="indexvalue">Programmable Atom Typer </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1quad.shtml">quad< T1, T2, T3, T4 ></a></td><td class="indexvalue">A 4-element templated, based on the design of the STL pair<> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1SpaceGroup.shtml">SpaceGroup</a></td><td class="indexvalue">Handle crystallographic space group symmetry </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1transform3d.shtml">transform3d</a></td><td class="indexvalue">Handle 3D transformations, such as space group definitions </td></tr>
<tr><td class="indexkey"><a class="el" href="structOpenBabel_1_1triple.shtml">triple< T1, T2, T3 ></a></td><td class="indexvalue">A 3-element templated, based on the design of the STL pair<> </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a></td><td class="indexvalue">Represents a vector in 3-dimensional real space </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1XMLBaseFormat.shtml">XMLBaseFormat</a></td><td class="indexvalue">Abstract class containing common functionality for XML formats </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1XMLConversion.shtml">XMLConversion</a></td><td class="indexvalue">A subclass for conversion of XML formats </td></tr>
<tr><td class="indexkey"><a class="el" href="classOpenBabel_1_1XMLMoleculeFormat.shtml">XMLMoleculeFormat</a></td><td class="indexvalue">Abstract class for XML formats which represent molecules </td></tr>
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