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BALL Class List

Here are the classes, structs, unions and interfaces with brief descriptions:
BALL::VIEW::AddBackboneModel AddBackboneModel class
BALL::VIEW::AddBallAndStickModel AddBallAndStickModel class
BALL::VIEW::AddCartoonModel AddCartoonModel class
BALL::AddHydrogenProcessor Saturate atoms with hydrogen atoms
BALL::Addition< First, Second, DataType > Addition class
BALL::PDB::AdditionalAtomInfo A structure tracking the current values of all auxiliary information required to write ATOM or HETATM records
BALL::VIEW::AddLineModel AddLineModel class
BALL::VIEW::AddSurfaceModel AddSurfaceModel class
BALL::VIEW::AddVanDerWaalsModel AddVanDerWaalsModel class
BALL::AmberBend Amber bond stretch component
BALL::VIEW::AmberConfigurationDialog Dialog for changing the options of the AMBER forcefield
BALL::AmberEvaluation A class for energetic evaluators of docking results using an AMBER force field as scoring function
BALL::AmberFF AMBER force field class
BALL::AmberFF::Default Default values for AMBER options
BALL::AmberFF::Option Option names
BALL::AmberNonBonded Amber NonBonded (VdW + Electrostatic) component
BALL::AmberStretch Amber bond stretch component
BALL::AmberTorsion Amber bond stretch component
BALL::Peptides::AminoAcidDescriptor This class represents one amino acid in the sequence
BALL::AnisotropyShiftProcessor Shift assignment processor implementing Anisotropy
BALL::AromaticBondsPredicate Predicate class for atoms bearing aromatic bonds
BALL::AromaticityProcessor Processor method to detect aromaticity of AtomContainers
BALL::AssignBaseProcessor Only used for deriving interface
BALL::AssignChargeProcessor Assigns a charge to each atom
BALL::AssignRadiusProcessor Assigns the radius to each atom
BALL::AssignShiftProcessor Set a property called chemical_shift
BALL::AssignTypeNameProcessor Assign type names to atoms
BALL::AssignTypeProcessor Type assignment processor
BALL::Atom Atom class
BALL::AtomBijection Atom bijection
BALL::VIEW::AtomBondModelBaseProcessor AtomBondModelBaseProcessor class
BALL::VIEW::AtomChargeColorProcessor AtomChargeColorProcessor class
BALL::AtomContainer Atom Container Base Class
BALL::AtomContainerIteratorTraits Traits class for the AtomContainerIterators
BALL::VIEW::AtomDistanceColorProcessor AtomDistanceColorProcessor class
BALL::AtomicPolarizabilities This descriptor adds up the atomic polarizabilities for all atoms
BALL::AtomInformationContent This descriptor is $n$ times MeanAtomInformationContent
BALL::AtomIteratorTraits Traits class for the AtomIterators
BALL::AtomNamePredicate Predicate for matching atom names
BALL::VIEW::AtomOverview Dialog for creating labels for a selection of molecular objects
BALL::AtomTypePredicate Predicate for matching atom types
BALL::AtomTyper Base class for a programable Atom typer
BALL::AtomTypes Force Field Atom Type Class
BALL::AtomVector Atom vector class
BALL::AutoDeletable Auto-deletable concept
BALL::AxialPredicate Axial predicate
BALL::BackBonePredicate Predicate indicating backbone atoms
BALL::BalabanIndexJ The Balaban index J is topological index
BALL::VIEW::BALLThread Baseclass for threads in BALL
BALL::BaseIterator< Container, DataType, Position, Traits > Generic Iterator Class
BALL::BidirectionalIterator< Container, DataType, Position, Traits > Mutable bidirectional iterator
BALL::BinaryFileAdaptor< T > Helper class for data conversion
BALL::BinaryFunctor< FirstArgumentType, SecondArgumentType, ResultType > Generic Binary Functor Class
BALL::BinaryPredicate< T1, T2 > Generic Binary Predicate Class
BALL::BinaryProcessor< T1, T2 > Generic Binary Processor Class
BALL::Bit Bit Class
BALL::Bit::IllegalOperation Exception thrown if a file could not be processed right
BALL::BitVector Bit vector class
BALL::Bond Bond class
BALL::Bond::NotBound Not bound to two atoms
BALL::BondPolarizabilities This descriptor is calculated by adding up the differences in atomic polarizabilities of the both participating atoms through all bonds
BALL::VIEW::BondProperties Dialog for showing and changing the properties of the bonds of an atom
BALL::PDB::BookKeeping This struct contains the number of records in a PDB file as required for the MASTER record
BALL::BoundingBoxProcessor Bounding box creating processor
BALL::VIEW::Box Box class
BALL::Bruker1DFile Bruker 1D spectrum format
BALL::Bruker2DFile Bruker 2D spectrum format
BALL::Exception::BufferOverflow Buffer overflow exception
BALL::BuildBondsProcessor Bond creation processor
BALL::BuildBondsProcessor::Default Default values for options
BALL::BuildBondsProcessor::Option Option names
BALL::BuriedPolar Fresno buried polar component
BALL::BuriedPolar::Default Default values for SLICK options
BALL::BuriedPolar::Option Option names
BALL::VIEW::Camera Camera with viewpoint, a look at point and an up-vector
BALL::CanonicalMD A MD simulation in the canoncial ensemble
BALL::CanonicalMD::AuxFactors Helper class containing auxiliary factors
BALL::Chain Protein chain class
BALL::ChainBuilder This class provides methods for analysis of the chains in a molecule
BALL::ChainIteratorTraits Traits class for the various ChainIterators
BALL::ChainPredicate Predicate for matching chains
BALL::ChargePredicate Charge predicate
BALL::ChargeRuleProcessor Charge Rule Processor
BALL::CharmmBend Charmm bond stretch component
BALL::VIEW::CharmmConfigurationDialog Dialog for changing the options of the CHARMM forcefield
BALL::CharmmEEF1 Force Field Parameter Section for CHARMM EEF1
BALL::CharmmEEF1::Data ?????
BALL::CharmmEEF1::Values ?????
BALL::CharmmFF CHARMM force field class
BALL::CharmmFF::Default Default values
BALL::CharmmFF::Option Options names
BALL::CharmmImproperTorsion Charmm improper torsion component
BALL::CharmmNonBonded Charmm NonBonded component
BALL::CharmmStretch Charmm bond stretch component
BALL::CharmmTorsion CHARMM torsion component
BALL::ChemScoreMetal ChemScore Metal component { Definition:} {BALL/MOLMEC/SLICK/chemScoreMetal.h}
BALL::CHPI SLICK ringstacking component
BALL::CHPI::AromaticRing A class for storing aromatic rings and information associated with them
BALL::CHPI::CHGroup A class for storing aliphatic CH groups suitable for building CH- interactions with aromatic rings
BALL::ClaverieParameter ClaverieParameter class
BALL::ClearChargeProcessor Clears the charge on all atoms
BALL::ClearRadiusProcessor Clears the radius of all atoms
BALL::ClearShiftProcessor Clear assigned shift data of all atoms
BALL::Client Client class
BALL::Client::InvalidClient InvalidClient exception class
BALL::Client::NoPersistentObject NoPersistentObject exception class
BALL::VIEW::ClippingDialog Dialog for selcting which Representations are clipped by one clipping plane
BALL::VIEW::ClippingPlane ClippingPlane
BALL::VIEW::ColorExtension2 Base class for geometric objects that need two colors
BALL::VIEW::ColorHSV ColorHSV class
BALL::VIEW::ColoringSettingsDialog Dialog for the molecular model coloring settings
BALL::VIEW::ColorMap This class is used to implement a color Map that can be used to map a floating point value into a color
BALL::VIEW::ColorProcessor Calculating colors for given GeometricObject instances
BALL::VIEW::ColorRGBA ColorRGBA class
BALL::VIEW::ColorUnit ColorUnit class
BALL::VIEW::ColorUnit::NotInHexFormat NotInHexFormat Exception class
BALL::VIEW::ColorUnitHue Value for the hue component of the class ColorHSV
BALL::Comparator< T > Generic Comparator Class
BALL::ComposedEnergyProcessor A class for composed energy calculations
BALL::Composite Composite Class
BALL::CompositeIteratorTraits Composite Iterator Traits This class is used in the implementation of the kernel iterators
BALL::VIEW::CompositeManager Management of Composites
BALL::VIEW::CompositeMessage CompositeMessage is the base class of all messages concerning the change of one Composite
BALL::VIEW::CompositeProperties Dialog for showing and changing the properties of an Composite, e.g
BALL::Conformation4C1Predicate Predicate for determining whether a sugar ring is in 4C1 conformation
BALL::ConformationSet Data structure for conformation results
BALL::ConjugateGradientMinimizer A minimizer for geometry optimization based on different conjugate gradient (CG) algorithms
BALL::ConjugateGradientMinimizer::Default Defaults for all options
BALL::ConjugateGradientMinimizer::Option Options names
BALL::ConnectedToPredicate Predicate class for atoms being connected to a constellation defined by an expression
BALL::VIEW::ConnectionObject Base class for all widgets and dialogs that handles communication through message posting
BALL::ConnectivityBase Generic QSAR molecular connectivity descriptors class \
BALL::Constant Python constants namespace wrapper
BALL::ConstantFunction< constant_template > Constant function class
BALL::ConstBidirectionalIterator< Container, DataType, Position, Traits > Constant Bidirectional Iterator
BALL::ConstForwardIterator< Container, DataType, Position, Traits > Generic non-mutable forward itterator
BALL::VIEW::ContourSurfaceDialog Dialog for creating contour surfaces from RegularData3D
BALL::VIEW::ControlSelectionMessage Used to inform MainControl of selection in MolecularControl (not the one of the checkboxes!) and the other way round
BALL::CosineTorsion Cosine Torsion
BALL::VIEW::CreateRepresentationMessage Notify the DisplayProperties dialog so that it creates a new Representation
BALL::CreateSpectrumProcessor Processor creates peaklist_
BALL::CubicFunction< Function, DataType > CubicFunction class
BALL::VIEW::CustomColorProcessor CustomColorProcessor colorizes every GeometricObject with the default color
BALL::VIEW::Dataset Baseclass for datasets
BALL::VIEW::DatasetControl DatasetControl is a widget to manage and manipulate arbitrary data types
BALL::VIEW::DatasetController Controller base class for one type of Dataset A DatasetController provides all neccessary means to manage and manipulate a kind of data in the DatasetControl
BALL::VIEW::DatasetMessage Message to notify about changes in a Dataset
BALL::DCDFile DCD Trajectory file format
BALL::Density This descriptor calculates the density of the molecule, by deviding the molecular weight by the van der Waals surface area
BALL::Descriptor Generic QSAR molecular descriptor class
BALL::VIEW::DeselectControlsMessage Message send by one GenericControl to notify all other GenericControl instances to deselect their QListView
BALL::Directory Directory class
BALL::VIEW::Disc Disc class
BALL::VIEW::DisplayProperties Dialog for creating and changing representations for a selection of molecular objects
BALL::Division< First, Second, DataType > Division class
BALL::Exception::DivisionByZero Division by zero error
BALL::VIEW::DockDialog Dialog for docking / redocking two systems
BALL::DockingAlgorithm Interface class for docking algorithms
BALL::VIEW::DockingController Class for docking two systems
BALL::VIEW::DockingFinishedMessage Message to notify docking has finished
BALL::VIEW::DockingThread Thread for Docking
BALL::VIEW::DockProgressDialog Dialog for showing the progress during a docking calculation
BALL::DockResult Result of a (re)docking calculation
BALL::DockResult::Compare_ Nested class in DockResult
BALL::DockResult::Scoring_ Nested class in DockResult
BALL::VIEW::DockResultController Controller base class for one type of Dataset
BALL::VIEW::DockResultDialog Dialog for showing the docking results
BALL::VIEW::DockResultDialog::Compare_ Nested class in DockResultDialog
BALL::VIEW::DockWidget Class for ModularWidget, which can be docked in the MainApplication window
BALL::DoubleBondsPredicate Predicate for atoms bearing double bonds
BALL::VIEW::DownloadPDBFile Dialog to search for and download structure files from the PDB data bank
BALL::DSN6File DSN6 density map file format
BALL::VIEW::EditableScene Extended 3D view for editing molecules
BALL::VIEW::EditFunctions EditFunctions class
BALL::VIEW::EditOperationDialog Dialog for storing the undo Operations of EditableScene
BALL::VIEW::EditSettings EditSettings is a widget that will be inserted into the tab dialog Preferences
BALL::EFShiftProcessor Shift assignment processor implementing the electric field effect
BALL::ElectrostaticPotentialCalculator This class is used to compute the electrostatic potential for of a system
BALL::ElectrostaticPotentialCalculator::Default Default values for the options in ElectrostaticPotentialCalculator::options
BALL::ElectrostaticPotentialCalculator::Option Symbolic names for option keys
BALL::Element Element class
BALL::VIEW::ElementColorProcessor ElementColorProcessor class
BALL::ElementPredicate Predicate for matching elements
BALL::Embeddable Python Embedding Base Class
BALL::EnergeticEvaluation Base class for energetic evaluators of docking results
BALL::EnergyMinimizer EnergyMinimizer
BALL::EnergyMinimizer::Option Option names
BALL::VIEW::EnergyMinimizerThread Thread for EnergyMinimization
BALL::EnergyProcessor Processor for energy calculations
BALL::Enumerator< Container, SiteIterator, Variant > Enumerator class
BALL::EnumeratorIndex EnumeratorIndex class
BALL::EnumeratorIndex::IncompatibleIndex Exception for reporting incompatible EnumeratorIndex instances, i.e
BALL::Experiment< PeakListType > Class describing a certain type of NMR experiment
BALL::Expression Expression class
BALL::ExpressionParser Expression Parser
BALL::ExpressionParser::SyntaxTree SyntaxTree
BALL::ExpressionPredicate ExpressionPredicate
BALL::ExpressionTree Expression tree class
BALL::Factory< T > Factory class
BALL::FalsePredicate False predicate
BALL::FDPB Finite Difference Poisson Boltzmann Solver
BALL::FDPB::Boundary This struct contains symbols for the available boundary conditions
BALL::FDPB::ChargeDistribution Constants to define the charge distribution methods
BALL::FDPB::Default Default values for FDPB options
BALL::FDPB::DielectricSmoothing Constants to define the dielectric smoothing methods
BALL::FDPB::FastAtomStruct Compact internal datastructure for the administration of the atoms extracted from the system
BALL::FDPB::Option Symbolic names for option keys
BALL::VIEW::FDPBDialog Dialog for performing Finite Distance Poisson Bolzmann calculations
BALL::FermiBaseFunction Sigmoidal base function
BALL::VIEW::FetchHTMLThread Thread to fetch a file over TCP network traffic
BALL::VIEW::FieldLineCreator FieldLineCreator class
BALL::VIEW::FieldLinesDialog Dialog for creating field lines
BALL::File File Class
BALL::File::CannotWrite Exception CannotWrite A given file could not be written, either because its not open or it has a wrong open mode
BALL::Exception::FileNotFound File not found
BALL::VIEW::FileObserver Class for observing changes in a molecular file
BALL::FileSystem File System Class This class is a wrapper around some very basic properties of the machine's file system properties
BALL::VIEW::ForceColorProcessor Coloring by the forces, acting on atoms
BALL::ForceField Force field class
BALL::ForceFieldComponent Generic force field component class
BALL::ForceFieldEvaluation Base class for energetic evaluators of docking results using a force field as scoring function
BALL::ForceFieldParameters Force field parameter class
BALL::VIEW::ForceModel ForceModel class
BALL::FormalCharge This descriptor adds up the formal charges
BALL::ForwardIterator< Container, DataType, Position, Traits > Generic mutable forward iterator class
BALL::Fragment Fragment class
BALL::FragmentDB FragmentDB - fragment database class
BALL::FragmentDB::BuildBondsProcessor Bond creation processor
BALL::FragmentDB::NoFragmentNode No fragment node found
BALL::FragmentDB::NormalizeNamesProcessor Name normalization processor
BALL::FragmentDistanceCollector Collects all MolecularFragments that are close enough to another molecular fragment
BALL::FragmentIteratorTraits Traits class for the FragmentIterator
BALL::GAMESSDatFile GAMESSDat file class
BALL::GAMESSDatFile::block Nested class for the data blocks of the GAMESSFile *
BALL::GAMESSDatFile::State State of the parser *
BALL::GAMESSLogFile GAMESSLog file class
BALL::GAMESSLogFile::State State of the parser *
BALL::Exception::GeneralException General exception class
BALL::GeneralizedBornModel Compute the electrostatics of a molecule in solution
BALL::VIEW::GenericControl GenericControl is a widget to display the structure of Composite objects
BALL::GenericMolFile Base class for all molecule file format classes
BALL::VIEW::GenericSelectionMessage GenericSelectionMessage class
BALL::GeometricCenterProcessor Calculates the geometric center of a given Composite object
BALL::VIEW::GeometricControl GeometricControl is a widget to display the list of representations
BALL::GeometricFit GeometricFit This class is derived from class DockingAlgorithm
BALL::GeometricFit::Option Symbolic names for option keys
BALL::GeometricFit::Peak_ Nested class Peak_ This class is needed for an efficient handling of all peaks corresponding to one orientation in a multiset
BALL::GeometricFit::RotationAngles_ Nested class RotationAngles_
BALL::VIEW::GeometricFitDialog Dialog for options of the docking algorithm GeometricFit
BALL::VIEW::GeometricObject GeometricObject class
BALL::VIEW::GeometricObjectSelectionMessage GeometricObjectSelectionMessage class
BALL::VIEW::GLDisplayList GLDisplayList class
BALL::VIEW::GLDisplayList::DisplayListRedeclaration DisplayListRedeclaration exception class
BALL::VIEW::GLDisplayList::NestedDisplayList NestedDisplayList exception class
BALL::VIEW::GLDisplayList::NoDisplayListAvailable NoDisplayListAvailable exception class
BALL::Exception::GlobalExceptionHandler Class handling uncaught exception globally
BALL::VIEW::GLRenderer GLRenderer Renderer which provides hardware accelerated OPENGL rendering
BALL::VIEW::GLRenderer::WrongModes WrongModes Exception class
BALL::Gradient Gradient class
BALL::GraphEdge< Vertex, Edge, Face > Generic GraphEdge Class
BALL::GraphFace< Vertex, Edge, Face > Generic GraphFace Class
BALL::GraphTriangle< Vertex, Edge, Face > Generic GraphTriangle Class
BALL::GraphVertex< Vertex, Edge, Face > Generic GraphVertex Class
BALL::VIEW::GridVisualisation GridVisualisation
BALL::VIEW::GridVisualizationDialog Dialog for visualizing grids
BALL::HaighMallionShiftProcessor Shift assignment processor implementing Haigh Mallion theory
BALL::HashFunction< T > General Hash Function Template
BALL::HashGrid3< Item > Three-dimensional Hash Grid Class
BALL::HashGridBox3< Item > Grid Box Class
BALL::HashGridBox3< Item >::DataItem ?????
BALL::HashGridBox3< Item >::NeighborBoxItem ?????
BALL::HashMap< Key, T > Generic Hash Map Class
BALL::HashMap< Key, T >::IllegalKey IllegalKey exception
BALL::HashSet< Key > Generic Hash Set Class
BALL::HashSet< Key >::IllegalKey Illegal key exception
BALL::VIEW::HBondModelProcessor HBondModelProcessor class
BALL::HBondProcessor This processor computes all hydrogen bonds occuring between amino acids in the composite it is applied to
BALL::HBondShiftProcessor Shift assignment processor implementing the effect of hydrogen bonds
BALL::VIEW::HelpViewer DockWidget to show online help texts e.g
BALL::HINFile HyperChem file class
BALL::VIEW::HotkeyTable Class for storing Python hotkeys in a GUI table
BALL::HydrogenBond Fresno Hydrogen Bond component
BALL::HydrogenBond::Default Default values for SLICK options
BALL::HydrophobicVdWSurface This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, of the hydrophobic atoms
BALL::Exception::IllegalPosition Invalid Position
BALL::Exception::IllegalSelfOperation Illegal self operation
BALL::Exception::IllegalTreeOperation Illegal tree operation
BALL::Exception::IncompatibleIterators Incompatible iterator
BALL::Exception::IndexOverflow Index overflow
BALL::Exception::IndexUnderflow Index underflow
BALL::INIFile INIFile
BALL::INIFile::IteratorTraits_ Interface for the LineIterator
BALL::INIFile::Section A section within an INI file
BALL::InRingPredicate Predicate for atoms being included in rings of a certain number
BALL::VIEW::InterpolateColorProcessor Base class for ColorProcessors, that interpolate between two values
BALL::Exception::InvalidFormat Invalid format
BALL::Exception::InvalidIterator Invalid iterator
BALL::Exception::InvalidOption Exception to be thrown if an invalid option is given
BALL::Exception::InvalidRange Invalid range
BALL::Exception::InvalidSize Invalid Size Throw this exception to indicate that a size was unexpected
BALL::IOSockStream IOSocketStream
BALL::IOStreamSocket IOStreamSocket
BALL::ISockStream Input stream from a socket
BALL::JCAMPFile JCAMP file class
BALL::JohnsonBoveyShiftProcessor Shift assignment processor implementing Johnson Bovey theory
BALL::KCFFile KEGG KCF file class
BALL::Kekuliser Class to transform bonds with type "aromatic" to conjugated single and double bonds
BALL::KernelPredicate< T > Kernel predicate class
BALL::VIEW::Label Label class
BALL::VIEW::LabelDialog Dialog for creating labels for a selection of molecular objects
BALL::VIEW::LabelModel LabelModel class
BALL::LennardJones Lennard Jones parameter section
BALL::VIEW::LightSettings Dialog for setting the lighting, which is added to the Preferences
BALL::VIEW::LightSource Light source is mainly used for Renderer classes (e.g
BALL::Limits< T > Numeric limits class
BALL::VIEW::Line Line class
BALL::LinearBaseFunction Linear base function
BALL::LineBasedFile A class for the convenient parsing of line-based file formats
BALL::LineSearch Basic line search class
BALL::Lipophilic Fresno lipophilic component
BALL::Lipophilic::Default Default values for SLICK options
BALL::Lipophilic::Option Option names
BALL::List< Value > Extended list object
BALL::VIEW::LogEvent Event class used for thread safe output to logview
BALL::LogStream Log Stream Class
BALL::LogStreamBuf Stream buffer used by LogStream
BALL::VIEW::LogView LogView class
BALL::VIEW::MainControl MainControl is the main administration unit for a program and must be used by all applications
BALL::VIEW::MainControlPreferences MainControlPreferences is a widget that will be inserted into the tab dialog Preferences
BALL::VIEW::MaterialSettings Dialog for setting the Material, which is added to the Preferences
BALL::MD5Hash MD5 hash of a string
BALL::VIEW::MDSimulationThread Thread for MDSimulation
BALL::MeanAtomInformationContent Atom information content (mean)
BALL::VIEW::Mesh Mesh class
BALL::VIEW::MeshBuffer Wrapper class to draw BALLView Mesh instances with OpenGL vertex buffer objects
BALL::VIEW::Message General Message class
BALL::VIEW::MessageEvent A QT Event, that can contain a VIEW message
BALL::MicroCanonicalMD Microcanonical MD: A class for doing molecular dynamics simulations according to the principle of a microcanonical ensemble (NVE), i.e., the total energy of the system is kept constant
BALL::MicroCanonicalMD::AuxFactors A local auxiliary class
BALL::VIEW::MinimizationDialog Dialog for performing energy minimisations
BALL::MMFF94 MMFF94 force field class
BALL::MMFF94::Default Default values for MMFF94 options
BALL::MMFF94::Option Option names
BALL::MMFF94AtomType Class to store the values of an atom type from MMFFPROP.PAR
BALL::MMFF94AtomTypeEquivalences MMFF94 equivalences for atom types (see MMFFDEF.PAR)
BALL::MMFF94AtomTypes MMFF94 parameters for atom types (see MMFFPROP.PAR)
BALL::MMFF94BendParameters MMFF94 parameters for bond bending (see MMFFANG.PAR)
BALL::MMFF94ChargeProcessor Assign MMFF94 Charges
BALL::VIEW::MMFF94ConfigurationDialog Dialog for changing the options of the MMFF94 forcefield
BALL::MMFF94ESParameters MMFF94 parameters for partial charges for electrostatics (see MMFFCHG.PAR MMFFPBCI.PAR)
BALL::MMFF94NonBonded MMFF94 NonBonded (VdW + Electrostatic) component
BALL::MMFF94OutOfPlaneBend MMFF94 Out of plane component
BALL::MMFF94ParametersBase MMFF94 component parameters base class
BALL::MMFF94PlaneParameters MMFF94 parameters for out of plane bending (see MMFFOOR.PAR)
BALL::MMFF94StretchBend MMFF94 bond stretch component
BALL::MMFF94StretchBend::Bend See MMFFANG.PAR
BALL::MMFF94StretchBendParameters MMFF94 parameters for stretch-bend interactions (see MMFFSTBN.PAR)
BALL::MMFF94StretchParameters MMFF94 parameters for bond stretching (see MMFFBOND.PAR)
BALL::MMFF94Torsion MMFF94 bond stretch component
BALL::MMFF94Torsion::Torsion See MMFFTOR.PAR
BALL::MMFF94TorsionParameters MMFF94 parameters for torsions (see MMFFTOR.PAR)
BALL::MMFF94VDWParameters MMFF94 parameters for VDW (see MMFFVDW.PAR)
BALL::VIEW::ModelInformation ModelInformation class
BALL::VIEW::ModelProcessor Base class for all model processors
BALL::VIEW::ModelSettingsDialog Dialog for the molecular model settings, it is inserted into the Preferences
BALL::VIEW::ModifyRepresentationDialog Dialog for coloring of surfaces The surfaces can be colored by a given color, or from the values, contained in a RegularData3D grid
BALL::VIEW::ModularWidget ModularWidget is a base class for widely independent widget that realize one feature domain
BALL::MOL2File SYBYL MOL2 file class
BALL::VIEW::MolecularControl MolecularControl is a widget to display the molecular structure of Composite objects
BALL::MolecularDynamics Molecular Dynamics base class
BALL::MolecularDynamics::Option Local classes for option names and default option values for all MD(sub)classes
BALL::VIEW::MolecularDynamicsDialog Dialog for performing MD simulations
BALL::VIEW::MolecularFileDialog Dialog for opening molecular data files
BALL::MolecularInformation MolecularInformation class
BALL::VIEW::MolecularStructure MolecularStructure provides means to modify molecular structures and do several calculations
BALL::VIEW::MolecularTaskMessage Message to perform specific tasks for molecular items
BALL::MolecularWeight This descriptor calculates the molecular weight
BALL::Molecule Molecule class
BALL::MoleculeAssembler Class, providing methods for the assembly of a structure diagram
BALL::MoleculeIteratorTraits MoleculeIteratorTratis_
BALL::MoleculeObjectCreator MoleculeObjectCreator class
BALL::MoleculePredicate Predicate for matching molecules
BALL::MOLFile MDL MOL file class
BALL::MOLFile::Property String constants used for named properties
BALL::VIEW::MultiColorExtension Base class for geometric objects that need multiple colors
BALL::VIEW::MultiLine A line with multiple vertices and colors
BALL::MutableConstant< DataType > Constant function class
BALL::MutablePower< Function, DataType > MutablePower class
BALL::NamedProperty Named Property Class
BALL::NegativePolarVdWSurface This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the partial charge of the atom is negative and the atom is a polar atom
BALL::NegativeVdWSurface This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the atoms have a negative partial charge
BALL::VIEW::NetworkPreferences NeworkPreferences is a widget that will be inserted into the tab dialog Preferences
BALL::VIEW::NewSelectionMessage Send by MainControl to Control objects to sync selection
BALL::NMRAtomData NMRAtomData This structure includes all information for one atom delivered by a NMR-Star-File
BALL::NMRStarFile
BALL::NodeItem< Node, Edge > The node type in a molecular graph
BALL::NonpolarSolvation SLICK nonpolar solvation component
BALL::NotificationTarget< NotificationSource > Notification Target Class
BALL::Exception::NotImplemented Not implemented exception
BALL::NucleicAcid Nucleic acid class
BALL::NucleicAcidIteratorTraits NucleicAcidIteratorTraits
BALL::Nucleotide Nucleotide class
BALL::NucleotideIteratorTraits NucleotideIteratorTraits
BALL::NucleotidePredicate Predicate indicating nucleotide atoms
BALL::Exception::NullPointer Null pointer argument is invalid
BALL::NumberOfAromaticAtoms This descriptor counts the number of aromatic atoms, a atom is aromatic if it participates a aromatic bond
BALL::NumberOfAromaticBonds This descriptor counts the number of aromatic bonds
BALL::NumberOfAtoms This descriptor counts the number of aromatic atoms
BALL::NumberOfBonds This descriptor counts the number of bonds of the molecule
BALL::NumberOfBondsPredicate Predicate class for atoms bearing a certain number of bonds
BALL::NumberOfBoron This descriptor counts the number of boron
BALL::NumberOfBromine This descriptor counts the number of bromine
BALL::NumberOfCarbon This descriptor counts the number of carbon
BALL::NumberOfChlorine This descriptor counts the number of chlorine
BALL::NumberOfDoubleBonds This descriptor counts the number of double bonds of the molecule
BALL::NumberOfFlourine This descriptor counts the number of flourine
BALL::NumberOfHeavyAtoms This descriptor counts the heavy atoms, heavy atoms are atoms with an atomic number strictly greater than 1 (all but hydrgen)
BALL::NumberOfHeavyBonds This descriptor counts the number of heavy bonds, a bond is heavy if both participating atoms are heavy
BALL::NumberOfHydrogen This descriptor counts the number of hydrogen
BALL::NumberOfHydrogenBondAcceptors This descriptor returns the number of hydrogen bonds acceptor atoms
BALL::NumberOfHydrogenBondDonors This descriptor returns the number of the hydrogen bond donors of the molecule
BALL::NumberOfHydrophobicAtoms This descriptor return the number of hydrophobic atoms
BALL::NumberOfIodine This descriptor counts the number of iodine
BALL::NumberOfNitrogen This descriptor counts the number of nitrogen
BALL::NumberOfOxygen This descriptor counts the number of oxygen
BALL::NumberOfPhosphorus This descriptor counts the number of phosphorus
BA