MTK++ Latest version: 0.2.0

Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
MTKpp::acParserReads and writes AMBER antechamber format files
MTKpp::amberAMBER MM potentials
MTKpp::amberAngleAMBER angle energy and gradient
MTKpp::amberBondAMBER bond energy and gradient
MTKpp::amberImproperAMBER improper energy and gradient
MTKpp::amberNonBondedAMBER non-bonded energy and gradient
MTKpp::amberParserReads and writes amber prmtop/crd files
MTKpp::amberTorsionAMBER torsion energy and gradient
MTKpp::AngleContainer for Angle info
MTKpp::angleParam
MTKpp::atomContainer for atom info
MTKpp::AtomLineTemporary container for atom info
MTKpp::atomType
MTKpp::atomTypeParserParses atom type xml files using xercesc
MTKpp::atomTyper
MTKpp::atomTypes
MTKpp::atomTypeTMP
MTKpp::baseParserBase class to all parsers
MTKpp::BaseStatsBase class for statistical routines
MTKpp::BondContainer for Bond info
MTKpp::bondParam
MTKpp::cliqueContainer for clique info
MTKpp::collectionContainer for molecules
commLineOptions
MTKpp::complexComplex
MTKpp::conformerContainer for conformer info
MTKpp::conformersThis class creates and operators on conformers, however, the conformers are stored in molecule
MTKpp::connectionsClass to assign bonds, angles, torsion and improper
MTKpp::dcParserReads divcon output files and write divcon input files
MTKpp::DivConInterfaceA class to interface with DivCon
MTKpp::dMParserSheet/table parser
MTKpp::edgeContainer for edge info
MTKpp::elementElement information
MTKpp::elementParserReads element xml file
MTKpp::elementsContainer for element information
TiXmlBase::Entity
MTKpp::equivalentAtomsParam
MTKpp::errorError object used in errorHandler
MTKpp::errorHandlerError Handling within MTK++
MTKpp::fingerPrintGenerates very simple molecular fingerprints
MTKpp::frcmodParserReads and writes AMBER frcmod format files
MTKpp::funcGroupContainer for functional group info
MTKpp::functionalizeDetermines functional groups in molecules using predefined fragments
MTKpp::gaAveragePerforms chromosome averaging
MTKpp::gaChromosomeContainer for gaGenes
MTKpp::gaCrossOverPerforms recombination of gaChromosomes
MTKpp::gaGaussianContains gaussian information used by gaSelection
MTKpp::gaGeneClass to handle genes
MTKpp::gaIndividualContainer for gaChromosomes
MTKpp::gaMutatePerforms mutation of gaChromosomes
MTKpp::gaOperatorsThis class performs the GA operations including crossover, mutation, averaging, etc
MTKpp::gaOutputClass to handle the GA output
MTKpp::gaParserReads GA xml files
MTKpp::gaPopulationContainer for gaIndividuals
MTKpp::gaRegionContainer for gaPopulations
MTKpp::gaSelectionSelects gaIndividuals from gaPopulation based on fitness
MTKpp::gaussianParserReads and writes gaussian format files
MTKpp::gaWorldContainer for gaRegions
MTKpp::graphContainer for graphs
MTKpp::hBondParam
MTKpp::hybridizeDetermines hybridizations of atoms in a molecule
MTKpp::hydrophobeContainer for hydrophobic group info
MTKpp::hydrophobizeDetermines the hydrophobic groups in a molecule
MTKpp::idObject
MTKpp::idObjectList
MTKpp::ImproperContainer for Improper info
MTKpp::improperParam
MTKpp::ligProtonateClass to add hydrogens to small molecules
MTKpp::LJ612SE
MTKpp::metalCenterContainer for metal centers
MTKpp::metalGroupContainer for metal centers
MTKpp::mmPotentialBase class for MM potentials
MTKpp::mol2ParserReads and writes MOL2 format files
MTKpp::moleculeContainer for submolecules, bonds, angles, torsions, and impropers
MTKpp::molParserReads and writes MOL format files
MTKpp::MTKException
MTKpp::mtkppParserReads and writes MTK++ State xml files
MyDOMErrorHandlerDom xml parser error handling
MTKpp::objectBase object to enforce a virtual destructor
MTKpp::olsOrdinary Least Squares
MTKpp::pamParserReads pam format files
MTKpp::parameters
MTKpp::paramParserReads parameter xml files
MTKpp::parsingException
MTKpp::pcaPrincipal Component Analysis
MTKpp::pdbInfoContainer for PDB info
MTKpp::pdbParserReads and writes PDB format files
MTKpp::pharmacophoreDetermines the Maximum Common Pharmacophore (MCP) between two molecules
MTKpp::plsPartial Least Squares
MTKpp::prepParserReads and writes AMBER prep format files
MTKpp::proProtonateClass to add hydrogens to proteins
MTKpp::protonateClass to add hydrogens
TiXmlString::Rep
MTKpp::ringContainer for ring info
MTKpp::ringsDetermines rings in a molecule
MTKpp::sdfParserReads and writes SDF format files
MTKpp::selectionAllows for the selection of certain parts of the collection
MTKpp::seqAlignSequence Alignment
MTKpp::sheet
MTKpp::stdAliasContainer for standard alias info
MTKpp::stdAtomContainer for standard atom info
MTKpp::stdBondContainer for standard bond info
MTKpp::stdConnTorsionContainer for standard connection torsions
MTKpp::stdFeatureContainer for standard feature info
MTKpp::stdFragContainer for stdAtoms, stdBond, stdImpropers, stdLoops, stdAlias'
MTKpp::stdFuncGroupContainer for standard functional group
MTKpp::stdGroup
MTKpp::stdImproperContainer for standard improper info
MTKpp::stdLibParser
MTKpp::stdLibrary
MTKpp::stdLoopContainer for standard loop info
MTKpp::stdRingContainer for standard ring info
MTKpp::stdRotBondContainer for standard rotatable bonds
StrXThis is a simple class that lets us do easy (though not terribly efficient) trancoding of XMLCh data to local code page for display
MTKpp::submoleculeContainer for atoms and bonds
MTKpp::superimposeFunctions to align molecules
MTKpp::table< T >Extension of eigen::matrix to store labels
TiXmlAttribute
TiXmlAttributeSet
TiXmlBase
TiXmlComment
TiXmlCursor
TiXmlDeclaration
TiXmlDocument
TiXmlElement
TiXmlHandle
TiXmlNode
TiXmlOutStream
TiXmlParsingData
TiXmlPrinter
TiXmlString
TiXmlText
TiXmlUnknown
TiXmlVisitor
MTKpp::TorsionContainer for Torsion info
MTKpp::torsionParam
MTKpp::vector3dA 3-dimensional vector class
MTKpp::vertexContainer for vertex info
MTKpp::watProtonateClass to add hydrogens to water molecules
XStrCThis is a simple class that lets us do easy (though not terribly efficient) trancoding of char* data to XMLCh data
MTKpp::xyzParserReads and writes XYZ format files
MTKpp::zmatParserReads and writes z-matrix format files

Generated on Fri Dec 23 2011 09:28:54 for MTK++ by Doxygen 1.7.5.1