Here is a list of all class members with links to the classes they belong to:
- S
: BALL::Element
- s1d_
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- s2d_
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- salt_bridge_atom
: BALL::PDB::RecordCONECT
- saltbridges
: BALL::PDB::Structure::ConectAtomList
, BALL::PDB::Structure
- SAMARIUM
: BALL::Element
- same_energy_counter_
: BALL::EnergyMinimizer
- Sample()
: BALL::NMRStarFile::Sample
- sample_conditions_
: BALL::NMRStarFile
- sample_positions_
: BALL::CubicSpline1D
- sample_positions_x_
: BALL::CubicSpline2D
- sample_positions_y_
: BALL::CubicSpline2D
- sample_values_
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
, BALL::CubicSpline1D
, BALL::CubicSpline2D
- SampleCondition()
: BALL::NMRStarFile::SampleCondition
- SAMPLES
: BALL::Pair6_12RDFIntegrator::Option
, BALL::Pair6_12RDFIntegrator::Default
, BALL::PairExpRDFIntegrator::Option
, BALL::PairExpRDFIntegrator::Default
- samples
: BALL::NMRStarFile::NMRAtomDataSet
- samples_
: BALL::NMRStarFile
- sampling_rate_
: BALL::CCP4File
, BALL::DSN6File
- sas_
: BALL::TriangulatedSAS
- SAS_grid
: BALL::FDPB
- SASEdge
: BALL::SASVertex
, BALL::SASEdge
, BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SASFace
- SASFace
: BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SASEdge
, BALL::SASVertex
, BALL::SASFace
- SASTriangulator
: BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SASEdge
, BALL::SASFace
, BALL::SASVertex
, BALL::SolventAccessibleSurface
, BALL::Triangle
, BALL::TriangleEdge
, BALL::TrianglePoint
, BALL::TriangulatedSAS
, BALL::SASTriangulator
- SASVertex
: BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SASEdge
, BALL::SASFace
, BALL::SASVertex
- saturateWithHydrogens()
: BALL::VIEW::EditableScene
- saturation_
: BALL::VIEW::ColorHSV
- save()
: BALL::ResourceFile
- save_()
: BALL::ResourceFile
- save_file
: BALL::VIEW::TestFramework
- save_id_
: BALL::VIEW::MolecularFileDialog
- save_images_
: BALL::VIEW::MDSimulationThread
- save_project_action_
: BALL::VIEW::MainControl
- saveAs()
: BALL::ResourceFile
- saveBALLViewProjectFile()
: BALL::VIEW::MainControl
- saveClassInformationToFile()
: BALL::QSAR::ClassificationModel
- saved_position_
: BALL::AtomVector
- saveDescriptorInformationToFile()
: BALL::QSAR::Model
, BALL::QSAR::RegressionModel
- saveDockTrajectory()
: BALL::VIEW::DockResultController
- saveFile()
: BALL::VIEW::TestFramework
- saveframe
: BALL::CIFFile::Datacontent
- saveframe_categories
: BALL::CIFFile::Datablock
- saveframe_names
: BALL::CIFFile::Datablock
- saveGAMESSInput()
: BALL::VIEW::RunGAMESSDialog
- saveKernelParametersToFile()
: BALL::QSAR::KernelModel
- saveModelParametersToFile()
: BALL::QSAR::Model
- savePositions()
: BALL::AtomVector
- saveResponseTransformationToFile()
: BALL::QSAR::Model
- saveScript()
: BALL::VIEW::PyWidget
- saveSettingsToLight_()
: BALL::VIEW::LightSettings
- saveSettingsToStage_()
: BALL::VIEW::StageSettings
- saveSurface()
: BALL::VIEW::GeometricControl
- saveToFile()
: BALL::ML::MLData
, BALL::QSAR::ALLModel
, BALL::QSAR::ClassificationValidation
, BALL::QSAR::KernelModel
, BALL::QSAR::LDAModel
, BALL::QSAR::LogitModel
, BALL::QSAR::Model
, BALL::QSAR::NBModel
, BALL::QSAR::QSARData
, BALL::QSAR::RegressionModel
, BALL::QSAR::RegressionValidation
, BALL::QSAR::SNBModel
, BALL::QSAR::Validation
- saveTrainingResult()
: BALL::QSAR::KernelModel
- Sb
: BALL::Element
- sb_parameters_
: BALL::MMFF94StretchBend
- sbmb
: BALL::MMFF94AtomType
, BALL::MMFF94StretchBend::Stretch
- sbmb_exists
: BALL::MMFF94StretchParameters::BondData
- sbtijk
: BALL::MMFF94StretchBend::StretchBend
- Sc
: BALL::Element
- scalarProduct()
: BALL::QSAR::Statistics
- scale()
: BALL::TMatrix4x4< T >
, BALL::PeakList< PT >
- scale_()
: BALL::VIEW::GLRenderer
- scaleAllDescriptors()
: BALL::ML::MLData
, BALL::QSAR::QSARData
- scaleVector3_()
: BALL::VIEW::GLRenderer
- scaling()
: BALL::QSAR::Statistics
- scaling_
: BALL::VIEW::ForceModel
- SCALING_ELECTROSTATIC_1_4
: BALL::AmberFF::Option
, BALL::AmberFF::Default
, BALL::CharmmFF::Option
, BALL::CharmmFF::Default
- scaling_electrostatic_1_4_
: BALL::AmberNonBonded
, BALL::CharmmNonBonded
- scaling_factor_
: BALL::GeneralizedBornModel
- scaling_factor_filename_
: BALL::GeneralizedBornModel
- scaling_factors_
: BALL::GeneralizedBornModel::GBParameters
, BALL::GeneralizedBornModel
- SCALING_VDW_1_4
: BALL::AmberFF::Option
, BALL::AmberFF::Default
, BALL::CharmmFF::Option
, BALL::CharmmFF::Default
- scaling_vdw_1_4_
: BALL::AmberNonBonded
, BALL::CharmmNonBonded
, BALL::VanDerWaals
- scalingUsed
: BALL::VIEW::VRMLRenderer
- SCANDIUM
: BALL::Element
- Scene
: BALL::VIEW::GLRenderer
, BALL::VIEW::Scene
- scene_
: BALL::VIEW::StageSettings
, BALL::VIEW::Renderer
, BALL::VIEW::RenderSetup
, BALL::VIEW::AnimationThread
, BALL::Mainframe
- SceneMessage()
: BALL::VIEW::SceneMessage
- SceneMessageType
: BALL::VIEW::SceneMessage
- scheduleDelete_()
: BALL::VIEW::PropertyEditor
- scheduleDuplicate_()
: BALL::VIEW::PropertyEditor
- score_
: BALL::ScoringComponent
, BALL::ScoringFunction
- scores_
: BALL::DockResult::Scoring_
- Scoring_()
: BALL::DockResult::Scoring_
- scoring_component_
: BALL::ScoringTypes
- scoring_dialogs_
: BALL::VIEW::DockDialog
, BALL::VIEW::DockResultDialog
- scoring_function_
: BALL::ScoringComponent
- scoring_opt_
: BALL::VIEW::DockDialog
- SCORING_TOLERANCE
: BALL::AromaticRingStacking::Option
, BALL::AromaticRingStacking::Default
- scoring_tolerance_
: BALL::AromaticRingStacking
- scoringAdvancedPressed()
: BALL::VIEW::DockDialog
- ScoringBaseFunction()
: BALL::ScoringBaseFunction
- scoringClicked()
: BALL::VIEW::DockResultDialog
- ScoringComponent()
: BALL::ScoringComponent
- scoringFuncChosen()
: BALL::VIEW::DockDialog
, BALL::VIEW::DockResultDialog
- ScoringFunction
: BALL::VIEW::DockingController
, BALL::ScoringFunction
- scorings_
: BALL::DockResult
- ScoringTypes()
: BALL::ScoringTypes
- screenshot_nr_
: BALL::VIEW::Scene
- script_edit_
: BALL::VIEW::PyWidget
- script_mode_
: BALL::VIEW::PyWidget
- script_output_
: BALL::VIEW::PyWidget
- scriptDialog()
: BALL::VIEW::PyWidget
- SCWRL_4_0
: BALL::SideChainPlacementProcessor::Method
- SCWRL_BINARY_PATH
: BALL::SideChainPlacementProcessor::Option
, BALL::SideChainPlacementProcessor::Default
- SCWRL_INPUT_FILE
: BALL::SideChainPlacementProcessor::Option
, BALL::SideChainPlacementProcessor::Default
- SCWRL_OUTPUT_FILE
: BALL::SideChainPlacementProcessor::Option
, BALL::SideChainPlacementProcessor::Default
- SCWRL_SEQUENCE_FILE
: BALL::SideChainPlacementProcessor::Option
, BALL::SideChainPlacementProcessor::Default
- SCWRLRotamerFile()
: BALL::SCWRLRotamerFile
- sd_file
: BALL::QSAR::InputConfiguration
- SD_FILE
: BALL::VIEW::MolecularFileDialog
- sd_systems_
: BALL::VIEW::AssignBondOrderResultsDialog
, BALL::VIEW::PubChemDialog
- SDFile()
: BALL::SDFile
- SDGenerator()
: BALL::SDGenerator
- SDWidget()
: BALL::VIEW::SDWidget
- sdwidget_
: BALL::VIEW::AssignBondOrderResultsDialog
- Se
: BALL::Element
- search()
: BALL::LineBasedFile
- searchPattern()
: BALL::StructureMapper
- searchTextChanged()
: BALL::VIEW::ShortcutDialog
- sec_axis_
: BALL::CCP4File
- sec_struct
: BALL::PDB::Structure::AtomEntry
- sec_structs
: BALL::PDB::Structure
- second
: BALL::Quadruple< T1, T2, T3, T4 >
, BALL::Triple< T1, T2, T3 >
- second_
: BALL::Bond
, BALL::Addition< First, Second, DataType >
, BALL::Subtraction< First, Second, DataType >
, BALL::Product< First, Second, DataType >
, BALL::Division< First, Second, DataType >
, BALL::SmartsParser::SPEdge
- second_argument_pointer
: BALL::BinaryFunctor< FirstArgumentType, SecondArgumentType, ResultType >
- second_argument_reference
: BALL::BinaryFunctor< FirstArgumentType, SecondArgumentType, ResultType >
- second_argument_type
: BALL::BinaryFunctor< FirstArgumentType, SecondArgumentType, ResultType >
- second_atom
: BALL::MOLFile::BondStruct
, BALL::PDB::RecordLINK
, BALL::PDB::RecordSLTBRG
- second_atom_expressions_
: BALL::EFShiftProcessor
- second_edge_
: BALL::SmartsParser::SPEdge
, BALL::SmartsParser::SPNode
- second_it_
: BALL::BindingPocketProcessor
- second_layer_rad_
: BALL::BindingPocketProcessor
- second_non_hydrogen_atom
: BALL::PDB::RecordHYDBND
- second_property_
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- SecondaryStructure()
: BALL::SecondaryStructure
- SecondaryStructureColorProcessor()
: BALL::VIEW::SecondaryStructureColorProcessor
- SecondaryStructureIteratorTraits()
: BALL::SecondaryStructureIteratorTraits
- SecondaryStructureProcessor()
: BALL::SecondaryStructureProcessor
- secs_
: BALL::PreciseTime
- SecStructList
: BALL::PDBFile
- section_
: BALL::INIFile::IteratorTraits_
- section_entries_
: BALL::ParameterSection
- section_index_
: BALL::INIFile
- section_name_
: BALL::ParameterSection
- SectionIterator
: BALL::INIFile
- sections_
: BALL::INIFile
- seekAndWriteHeader()
: BALL::DCDFile
- segment_ID
: BALL::PDB::RecordANISOU
, BALL::PDB::RecordATOM
, BALL::PDB::RecordHETATM
, BALL::PDB::RecordSIGATM
, BALL::PDB::RecordSIGUIJ
- select()
: BALL::Composite
, BALL::Selectable
, BALL::VIEW::MolecularControl
- SELECT
: BALL::VIEW::MolecularControl
- select_()
: BALL::Composite
- select_action_
: BALL::VIEW::MolecularControl
- select_id_
: BALL::VIEW::MolecularControl
- Selectable()
: BALL::Selectable
- selectAllModels()
: BALL::PDBFile
- selectAltLocationIndicator()
: BALL::PDBFile
- selectAtoms()
: BALL::VIEW::GeometricControl
- selectClipRepresentations()
: BALL::VIEW::GeometricControl
- selectColoringMethod()
: BALL::VIEW::DisplayProperties
- selectCompositeRecursive()
: BALL::VIEW::MainControl
- selectComposites_()
: BALL::VIEW::MainControl
- SELECTED
: BALL::VIEW::DatasetMessage
, BALL::VIEW::RepresentationMessage
- selected_
: BALL::Selectable
, BALL::VIEW::MolecularControl
- selected_atoms_
: BALL::Selector
- selected_color
: BALL::VIEW::ModifyRepresentationDialog
- selected_coloring_method_
: BALL::VIEW::MolecularControl
- SELECTED_COMPOSITE
: BALL::VIEW::CompositeMessage
- SELECTED_FF
: BALL::VIEW::DockingController
- selected_model_
: BALL::PDBFile
, BALL::VIEW::MolecularControl
- selectedForceField()
: BALL::VIEW::MinimizationDialog
, BALL::VIEW::MolecularDynamicsDialog
- selectedRepresentation()
: BALL::VIEW::GeometricControl
- selectFeatures()
: BALL::QSAR::AutomaticModelCreator
- selectFile_()
: BALL::VIEW::DockDialog
, BALL::VIEW::FDPBDialog
- selectFont()
: BALL::VIEW::MainControlPreferences
, BALL::VIEW::PythonSettings
- selectForceField()
: BALL::VIEW::MinimizationDialog
, BALL::VIEW::MolecularDynamicsDialog
- SELECTION
: BALL::Composite
- selection_
: BALL::ResidueChecker
, BALL::VIEW::MainControl
, BALL::VIEW::GenericSelectionMessage
, BALL::VIEW::GeometricObjectSelectionMessage
- selection_color_
: BALL::VIEW::ColorProcessor
- selection_enabled_
: BALL::ForceField
- selection_name
: BALL::QSAR::FeatureSelectionConfiguration
- selection_stamp_
: BALL::Composite
- selectionChanged_()
: BALL::VIEW::DockResultDialog
- selectionPressed_()
: BALL::VIEW::Scene
- selectionPressedMoved_()
: BALL::VIEW::Scene
- selectItems()
: BALL::VIEW::TreeWidget
- selectMode()
: BALL::VIEW::DisplayProperties
- selectModel()
: BALL::PDBFile
, BALL::VIEW::DisplayProperties
- selectObjects_()
: BALL::VIEW::Scene
- Selector()
: BALL::Selector
- selector_edit_
: BALL::VIEW::MolecularControl
- selectStat()
: BALL::QSAR::ClassificationValidation
, BALL::QSAR::FeatureSelection
, BALL::QSAR::RegressionValidation
, BALL::QSAR::Validation
- selectUnassignedForceFieldAtoms_()
: BALL::VIEW::MolecularStructure
- SELENIUM
: BALL::Element
- send()
: BALL::RingPerceptionProcessor::TNode_
- send_buffer
: BALL::RingPerceptionProcessor::TNode_
- sendMessage()
: BALL::VIEW::MainControl
- sendMessage_()
: BALL::VIEW::BALLThread
- sendObject()
: BALL::VIEW::ServerWidget::BALLViewServer
- sendOptions()
: BALL::MPISupport
- sendPersistenceStream_()
: BALL::MPISupport
- sendSystem()
: BALL::MPISupport
- sense_of_strand
: BALL::PDB::RecordSHEET
- separate_activity_file
: BALL::QSAR::InputConfiguration
- SEPARATOR
: BALL::ResourceFile
- seq_identity
: BALL::NMRStarFile::MonomericPolymer::HomologDB
- seq_positive
: BALL::NMRStarFile::MonomericPolymer::HomologDB
- seq_to_submitted_percentage
: BALL::NMRStarFile::MonomericPolymer::HomologDB
- seqres_records
: BALL::PDB::BookKeeping
- sequence_
: BALL::Peptides::PeptideBuilder
- sequence_database_accession_code
: BALL::PDB::RecordDBREF
- sequence_database_ID_code
: BALL::PDB::RecordDBREF
- sequence_database_name
: BALL::PDB::RecordDBREF
- sequence_number
: BALL::PDB::Residue
, BALL::PDB::RecordSITE
, BALL::PDB::RecordTURN
- sequence_number_
: BALL::PDBFile
- sequenceRing()
: BALL::RingAnalyser
- sequenceSubstituents_()
: BALL::SDGenerator
- ser_pressed()
: BALL::VIEW::PeptideDialog
- serial_number
: BALL::PDB::RecordANISOU
, BALL::PDB::RecordATOM
, BALL::PDB::RecordHELIX
, BALL::PDB::RecordHETATM
, BALL::PDB::RecordMTRIX1
, BALL::PDB::RecordMTRIX2
, BALL::PDB::RecordMTRIX3
, BALL::PDB::RecordSEQRES
, BALL::PDB::RecordSIGATM
, BALL::PDB::RecordSIGUIJ
, BALL::PDB::RecordSSBOND
, BALL::PDB::RecordTER
, BALL::PDB::RecordTVECT
, BALL::PDB::Structure::ConectAtomList
- server_
: BALL::VIEW::ServerWidget
- server_icon_
: BALL::VIEW::ServerWidget
- server_preferences_
: BALL::VIEW::ServerWidget
- server_status_
: BALL::VIEW::ServerPreferences
- serverChanged()
: BALL::VIEW::DownloadElectronDensity
- ServerPreferences()
: BALL::VIEW::ServerPreferences
- ServerWidget()
: BALL::VIEW::ServerWidget
- ses_
: BALL::SESComputer
, BALL::SESSingularityCleaner
, BALL::TriangulatedSES
- SESComputer
: BALL::ReducedSurface
, BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SESEdge
, BALL::SESFace
, BALL::SESVertex
, BALL::SolventExcludedSurface
, BALL::SESSingularityCleaner
, BALL::SESComputer
- SESEdge
: BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SESFace
, BALL::SESVertex
, BALL::SESEdge
- SESFace
: BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SESEdge
, BALL::SESVertex
, BALL::SESFace
- SESSingularityCleaner
: BALL::ReducedSurface
, BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SESEdge
, BALL::SESFace
, BALL::SESVertex
, BALL::SolventExcludedSurface
, BALL::SESSingularityCleaner
- SESTriangulator
: BALL::ReducedSurface
, BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SESEdge
, BALL::SESFace
, BALL::SESVertex
, BALL::SolventExcludedSurface
, BALL::Triangle
, BALL::TriangleEdge
, BALL::TrianglePoint
, BALL::TriangulatedSES
, BALL::SESTriangulator
- SESVertex
: BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SESEdge
, BALL::SESFace
, BALL::SESVertex
- set()
: BALL::TPlane3< T >
, BALL::TQuaternion< T >
, BALL::TSimpleBox3< T >
, BALL::TSphere3< T >
, BALL::TSurface< T >
, BALL::TVector2< T >
, BALL::TVector3< T >
, BALL::TVector4< T >
, BALL::AtomVector
, BALL::Gradient
, BALL::RuleProcessor
, BALL::MolecularDynamics
, BALL::CosineTorsion::Values
, BALL::GraphEdge< Vertex, Edge, Face >
, BALL::GraphFace< Vertex, Edge, Face >
, BALL::GraphTriangle< Vertex, Edge, Face >
, BALL::GraphVertex< Vertex, Edge, Face >
, BALL::ReducedSurface
, BALL::RSEdge
, BALL::RSFace
, BALL::RSVertex
, BALL::SASEdge
, BALL::SASFace
, BALL::SASVertex
, BALL::SESEdge
, BALL::SESFace
, BALL::SESVertex
, BALL::StructureMapper
, BALL::Triangle
, BALL::TrianglePoint
, BALL::TriangulatedSAS
, BALL::TriangulatedSES
, BALL::TriangulatedSurface
, BALL::TriangulatedSphere
, BALL::Directory
, BALL::VIEW::ColorExtension2
, BALL::VIEW::MultiColorExtension
, BALL::VIEW::ColorHSV
, BALL::VIEW::ColorRGBA
, BALL::VIEW::ColorUnit
, BALL::VIEW::ColorUnitHue
, BALL::VIEW::Dataset
, BALL::VIEW::Vertex
, BALL::VIEW::Vertex2
, BALL::VIEW::GeometricObject
, BALL::VIEW::AtomBondModelBaseProcessor
, BALL::VIEW::AddBallAndStickModel
, BALL::VIEW::ColorProcessor
, BALL::VIEW::HBondModelProcessor
, BALL::VIEW::Box
, BALL::VIEW::Disc
, BALL::VIEW::Label
, BALL::VIEW::Line
, BALL::VIEW::Mesh
, BALL::VIEW::MultiLine
, BALL::VIEW::Point
, BALL::VIEW::SimpleBox
, BALL::VIEW::Sphere
, BALL::VIEW::Tube
, BALL::VIEW::TwoColoredLine
, BALL::VIEW::TwoColoredTube
, BALL::VIEW::Hotkey
, BALL::VIEW::Scene
, BALL::Exception::GlobalExceptionHandler
, BALL::Composite
, BALL::PropertyManager
, BALL::Selectable
, BALL::PreciseTime
, BALL::BitVector
, BALL::HashGrid3< Item >
, BALL::HashSet< Key >
, BALL::List< Value >
, BALL::Options
, BALL::Quadruple< T1, T2, T3, T4 >
, BALL::RegularExpression
, BALL::String
, BALL::Substring
, BALL::StringHashMap< Value >
, BALL::Triple< T1, T2, T3 >
, BALL::PDB::Residue
, BALL::ResourceEntry
, BALL::Atom
, BALL::AtomContainer
, BALL::Chain
, BALL::Molecule
, BALL::NucleicAcid
, BALL::Nucleotide
, BALL::PDBAtom
, BALL::Protein
, BALL::Residue
, BALL::SecondaryStructure
, BALL::System
, BALL::TAngle< T >
, BALL::TBox3< T >
, BALL::TCircle3< T >
, BALL::TLine3< T >
, BALL::TMatrix4x4< T >
, BALL::PiecewiseFunction
, BALL::PiecewisePolynomial
, BALL::TPlane3< T >
- setAcidicColor()
: BALL::VIEW::ResidueTypeColorProcessor
- setActive()
: BALL::VIEW::ClippingPlane
- setAdditionalGridDistance()
: BALL::VIEW::ColorProcessor
- setAlpha()
: BALL::LineSearch
, BALL::VIEW::ColorRGBA
- setAlphaBlending()
: BALL::VIEW::ColorMap
- setAlphas()
: BALL::VIEW::MultiColorExtension
- setAlternateLocationIndicator()
: BALL::PDBAtom
- setAmberDialog()
: BALL::VIEW::MinimizationDialog
, BALL::VIEW::MolecularDynamicsDialog
- setAmberFF()
: BALL::VIEW::AmberConfigurationDialog
- setAmbientIntensity()
: BALL::VIEW::Stage
- setAminoAcidType()
: BALL::Peptides::AminoAcidDescriptor
- setAngle()
: BALL::RSEdge
, BALL::SASEdge
, BALL::VIEW::LightSource
- setAnimationSmoothness()
: BALL::VIEW::Scene
- setAntialiasing()
: BALL::VIEW::GLRenderer
- setApplyEnabled()
: BALL::VIEW::Preferences
- setArgument()
: BALL::ExpressionPredicate
, BALL::ConnectedToPredicate
- setAromatic()
: BALL::SmilesParser::SPAtom
- setAromaticColor()
: BALL::VIEW::ResidueTypeColorProcessor
- setAromaticRings()
: BALL::MMFF94ChargeProcessor
, BALL::AtomTyper
, BALL::Kekuliser
- setArrowWidth()
: BALL::VIEW::AddCartoonModel
- setAtom()
: BALL::Peak< PositionType >
, BALL::RSVertex
, BALL::SESVertex
- setAtomAveraging()
: BALL::CreateSpectrumProcessor
- setAtomForces()
: BALL::SnapShot
- setAtomicNumber()
: BALL::Element
- setAtomicRadius()
: BALL::Element
- setAtomicWeight()
: BALL::Element
- setAtomIgnoring()
: BALL::CreateSpectrumProcessor
- setAtomPositions()
: BALL::SnapShot
- setAtoms()
: BALL::CHPI::CHGroup
- setAtomTypeSmarts()
: BALL::HybridisationProcessor
- setAtomVelocities()
: BALL::SnapShot
- setAtomVelocitites()
: BALL::SnapShot
- setAttenuation()
: BALL::VIEW::LightSource
- setAttenuation_()
: BALL::VIEW::LightSettings
- setAutoDeletable()
: BALL::AutoDeletable
- setBackboneDependent()
: BALL::RotamerLibrary
- setBackgroundColor()
: BALL::VIEW::Stage
- setBallAndStickStickDashedBondsEnabled()
: BALL::VIEW::ModelSettingsDialog
- setBallAndStickStickRadius()
: BALL::VIEW::ModelSettingsDialog
- setBallRadius()
: BALL::VIEW::ModelSettingsDialog
, BALL::VIEW::AddBallAndStickModel
- setBarrier()
: BALL::MPISupport
- setBaseColors()
: BALL::VIEW::ColorMap
- setBaseDirectory()
: BALL::VIEW::HelpViewer
- setBaseFunction()
: BALL::ScoringFunction
- setBaseSize()
: BALL::VIEW::ForceModel
- setBasicColor()
: BALL::VIEW::ResidueTypeColorProcessor
- setBathRelaxationTime()
: BALL::CanonicalMD
- setBeta()
: BALL::LineSearch
- setBit()
: BALL::BitVector
- setBlue()
: BALL::VIEW::ColorRGBA
- setBondLengths()
: BALL::BuildBondsProcessor
- setBondOrder()
: BALL::SmartsParser::SPBond
- setBondType()
: BALL::ConnectedToPredicate::CTPNode
- setBool()
: BALL::Options
- setBoudaryDerivatives()
: BALL::CubicSpline1D
- setBoundingBox()
: BALL::TRRFile
- setBox()
: BALL::PeriodicBoundary
- setBracketedFlag()
: BALL::LineSearch
- setBranchDesignator()
: BALL::PDBAtom
- setBreakpoints()
: BALL::VIEW::ColorByGridProcessor
- setBusyMode_()
: BALL::VIEW::MainControl
- SetCamera()
: BALL::VIEW::SetCamera
- setCamera()
: BALL::VIEW::Stage
, BALL::VIEW::Scene
- setCappingEnabled()
: BALL::VIEW::ClippingPlane
- setCartoonArrowWidth()
: BALL::VIEW::ModelSettingsDialog
- setCartoonDNABaseRadius()
: BALL::VIEW::ModelSettingsDialog
- setCartoonDNAHelixRadius()
: BALL::VIEW::ModelSettingsDialog
- setCartoonDNALadderRadius()
: BALL::VIEW::ModelSettingsDialog
- setCartoonHelixRadius()
: BALL::VIEW::ModelSettingsDialog
- setCartoonStrandHeight()
: BALL::VIEW::ModelSettingsDialog
- setCartoonStrandWidth()
: BALL::VIEW::ModelSettingsDialog
- setCartoonTubeRadius()
: BALL::VIEW::ModelSettingsDialog
- setCategory()
: BALL::CIFFile::SaveFrame
- setCAtom()
: BALL::CHPI::CHGroup
- setCellAngleAlpha()
: BALL::CrystalInfo
- setCellAngleBeta()
: BALL::CrystalInfo
- setCellAngleGamma()
: BALL::CrystalInfo
- setCellAngles()
: BALL::CrystalInfo
- setCellDimensions()
: BALL::CrystalInfo
- setCellEdgeLengthA()
: BALL::CrystalInfo
- setCellEdgeLengthB()
: BALL::CrystalInfo
- setCellEdgeLengthC()
: BALL::CrystalInfo
- setCenter()
: BALL::RSFace
- setCenterOfTorus()
: BALL::RSEdge
- setCFS_()
: BALL::SDGenerator
- setChain()
: BALL::NMRStarFile::BALLToBMRBMapper
- setChainName()
: BALL::Peptides::PeptideBuilder
- setCharge()
: BALL::Atom
- setCharmmDialog()
: BALL::VIEW::MinimizationDialog
, BALL::VIEW::MolecularDynamicsDialog
- setCharmmFF()
: BALL::VIEW::CharmmConfigurationDialog
, BALL::VIEW::FFConfigurationDialog
- setChirality()
: BALL::SmilesParser::SPAtom
- setCircle()
: BALL::SASEdge
, BALL::SESEdge
, BALL::VIEW::Disc
- SetClippingPlane()
: BALL::VIEW::SetClippingPlane
- setClippingPlane()
: BALL::VIEW::ClippingDialog
- setClippingPlane_()
: BALL::VIEW::GeometricControl
- setClippingPlaneX()
: BALL::VIEW::GeometricControl
- setClippingPlaneY()
: BALL::VIEW::GeometricControl
- setClippingPlaneZ()
: BALL::VIEW::GeometricControl
- setClippingPosition()
: BALL::VIEW::GeometricControl
- setCoefficient()
: BALL::ScoringFunction
- setCoefficients()
: BALL::PiecewiseFunction
- setCoefficientStdErrors()
: BALL::QSAR::RegressionValidation
- setCoilColor()
: BALL::VIEW::SecondaryStructureColorProcessor
- setColor()
: BALL::VIEW::GeometricObject
, BALL::VIEW::LightSource
, BALL::VIEW::LabelModel
, BALL::VIEW::ColorButton
- setColor2()
: BALL::VIEW::ColorExtension2
- setColor4ub_()
: BALL::VIEW::GLRenderer
- setColoringMethod()
: BALL::VIEW::Representation
- setColoringSettingsDialog()
: BALL::VIEW::DisplayProperties
- setColorProcessor()
: BALL::VIEW::Representation
- setColorRGBA_()
: BALL::VIEW::GLRenderer
- setColors()
: BALL::VIEW::MultiColorExtension
, BALL::VIEW::ColorByGridProcessor
, BALL::VIEW::InterpolateColorProcessor
, BALL::VIEW::PositionColorProcessor
, BALL::VIEW::ColorTable
- setColumn()
: BALL::TMatrix4x4< T >
- setCompareMode()
: BALL::String
- setComponentGrouping()
: BALL::SmartsParser
- setComponentNumber()
: BALL::SmartsParser::SPNode
- setComposite()
: BALL::FragmentDistanceCollector
, BALL::VIEW::Dataset
, BALL::VIEW::GeometricObject
, BALL::VIEW::CompositeMessage
, BALL::VIEW::Representation
, BALL::VIEW::BALLThread
- setCompositeName()
: BALL::VIEW::CompositeMessage
- setComposites()
: BALL::VIEW::Representation
, BALL::VIEW::ColorProcessor
- setConformationSet()
: BALL::DockResult
, BALL::VIEW::DockingFinishedMessage
- setConstant()
: BALL::MutableConstant< DataType >
- setConstants()
: BALL::Pair6_12RDFIntegrator
, BALL::PairExpRDFIntegrator
- setContactCircle()
: BALL::RSEdge
- setContent()
: BALL::INIFile
, BALL::VIEW::PythonSettings
, BALL::VIEW::ColorTable
, BALL::VIEW::HotkeyTable
- setContentSize()
: BALL::VIEW::MainControl
- setController()
: BALL::VIEW::ContourSurfaceDialog
, BALL::VIEW::GridVisualizationDialog
- setControlsEnabled_()
: BALL::VIEW::LightSettings
- setCorrectionParameter()
: BALL::ShiftedLVMMMinimizer
- setCovalentRadius()
: BALL::Element
- setCrystalInfo()
: BALL::CrystalGenerator
- setCurrent()
: BALL::Directory
- setCurrentCharge()
: BALL::GAMESSLogFile
- setCurrentModel()
: BALL::PDBInfo
- setCurrentRepresentation()
: BALL::VIEW::MaterialSettings
- setCurrentTime()
: BALL::MolecularDynamics
- setCursor()
: BALL::VIEW::EditableScene
- setCurvature()
: BALL::CubicSpline1D
- setCustomColor()
: BALL::VIEW::DisplayProperties
- setCVRes()
: BALL::QSAR::ClassificationValidation
, BALL::QSAR::RegressionValidation
, BALL::QSAR::Validation
- setData()
: BALL::TFFT1D< ComplexTraits >
, BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
, BALL::QSAR::AutomaticModelCreator
, BALL::NodeItem< Node, Edge >
, BALL::EdgeItem< Node, Edge >
, BALL::BinaryFileAdaptor< T >
, BALL::VIEW::FrameBuffer
, BALL::VIEW::ShortcutTableModel
- setDataFolder()
: BALL::ML::MLData
, BALL::PartialChargeBase
, BALL::PartialChargeProcessor
, BALL::QSAR::QSARData
, BALL::SimpleBase
- setDataPath()
: BALL::Path
- setDataset()
: BALL::VIEW::DatasetMessage
- setDatasetControl()
: BALL::VIEW::DatasetController
- setDataSource()
: BALL::QSAR::Model
- setDCDFile()
: BALL::VIEW::MolecularDynamicsDialog
, BALL::VIEW::SimulationThread
- setDefault()
: BALL::Options
- setDefaultBool()
: BALL::Options
- setDefaultColor()
: BALL::VIEW::ColorProcessor
, BALL::VIEW::ColorButton
- setDefaultCommunicator()
: BALL::MPISupport
- setDefaultInteger()
: BALL::Options
- setDefaultLighting()
: BALL::VIEW::Scene
- setDefaultOptions()
: BALL::EmpiricalHSShiftProcessor
, BALL::AromaticityProcessor
, BALL::RingPerceptionProcessor
, BALL::PierottiCavFreeEnergyProcessor
, BALL::ReissCavFreeEnergyProcessor
, BALL::UhligCavFreeEnergyProcessor
, BALL::AssignBondOrderProcessor
, BALL::BuildBondsProcessor
, BALL::HBondProcessor
, BALL::HybridisationProcessor
, BALL::Peptides::NameConverter
, BALL::SDGenerator
, BALL::SideChainPlacementProcessor
, BALL::VIEW::SDWidget
- setDefaultOptions_()
: BALL::NumericalSAS
- setDefaultPage()
: BALL::VIEW::HelpViewer
- setDefaultPeak()
: BALL::Experiment< PeakListType >
- setDefaultPositionAddress()
: BALL::VIEW::Sphere
- setDefaultRangeValues_()
: BALL::VIEW::RaytraceableContourSurfaceDialog
- setDefaultReal()
: BALL::Options
- setDefaultValue()
: BALL::CubicSpline1D
- setDefaultValues()
: BALL::VIEW::Preferences
- setDefaultValues_()
: BALL::VIEW::ColoringSettingsDialog
, BALL::VIEW::ModelSettingsDialog
, BALL::VIEW::StageSettings
- setDefaultVertex1Address()
: BALL::VIEW::Vertex2
- setDefaultVertex2Address()
: BALL::VIEW::Vertex2
- setDefaultVertexAddress()
: BALL::VIEW::Vertex
- setDefaultVertexAddresses()
: BALL::VIEW::Vertex2
- setDegree()
: BALL::PiecewisePolynomial
- setDeletable()
: BALL::VIEW::Message
- setDeleteEntryEnabled()
: BALL::VIEW::MainControl
- setDemoMode()
: BALL::VIEW::DemoTutorialDialog
- setDensity()
: BALL::SurfaceProcessor
, BALL::TriangulatedSAS
, BALL::TriangulatedSES
, BALL::TriangulatedSurface
- setDepth()
: BALL::TBox3< T >
- setDepthVector()
: BALL::TBox3< T >
- setDescriptorIDs()
: BALL::QSAR::Model
- setDescriptorNames()
: BALL::ML::MLData
, BALL::QSAR::QSARData
- setDiffuseIntensity()
: BALL::VIEW::Stage
- setDimension()
: BALL::TRegularData1D< ValueType >
, BALL::TRegularData2D< ValueType >
, BALL::TRegularData3D< ValueType >
, BALL::ShiftModel1D
, BALL::ShiftModel2D
- setDirection()
: BALL::VIEW::LightSource
- setDirection_()
: BALL::VIEW::LightSettings
- setDistance()
: BALL::FragmentDistanceCollector
, BALL::VIEW::AtomDistanceColorProcessor
- setDNABaseRadius()
: BALL::VIEW::AddCartoonModel
- setDNAHelixRadius()
: BALL::VIEW::AddCartoonModel
- setDNALadderRadius()
: BALL::VIEW::AddCartoonModel
- setDockedSystem()
: BALL::VIEW::DockResultDialog
- setDockingAlgorithm()
: BALL::VIEW::DockProgressDialog
, BALL::VIEW::DockingThread
- setDockResult()
: BALL::VIEW::DockResultDialog
- setDotSize()
: BALL::VIEW::GridVisualisation
- setDrawDNAAsLadderModel()
: BALL::VIEW::AddCartoonModel
- setDrawingMode()
: BALL::VIEW::Representation
- setDrawingPrecision()
: BALL::VIEW::DisplayProperties
, BALL::VIEW::Representation
, BALL::VIEW::ModelProcessor
- setDuplicateKeyCheck()
: BALL::INIFile
- setEdge()
: BALL::GraphTriangle< Vertex, Edge, Face >
, BALL::SolventAccessibleSurface
- setEditable()
: BALL::VIEW::PropEditorWidget
, BALL::VIEW::PropertyEditor
- setEditElementType()
: BALL::VIEW::EditableScene
- setEditorData()
: BALL::VIEW::ComboBoxDelegate
- setEDSPrefix()
: BALL::VIEW::DownloadElectronDensity
- setEDSSuffix()
: BALL::VIEW::DownloadElectronDensity
- setElectronegativity()
: BALL::Element
- setElement()
: BALL::Atom
- setElementCursor()
: BALL::VIEW::EditableScene
- setElementName()
: BALL::GAFFCESParser::CESelementConnectionPredicate
, BALL::GAFFCESParser::CESelementPredicate
- setEMDBPrefix()
: BALL::VIEW::DownloadElectronDensity
- setEMDBSuffix()
: BALL::VIEW::DownloadElectronDensity
- setEnableAlpha()
: BALL::VIEW::ColorButton
- setEnabled()
: BALL::ForceFieldComponent
, BALL::VIEW::FakeDriver
, BALL::VIEW::InputDeviceDriver
- setEnergyDifference()
: BALL::VIEW::MinimizationDialog
- setEnergyDifferenceBound()
: BALL::EnergyMinimizer
- setEnergyMinimizer()
: BALL::VIEW::EnergyMinimizerThread
- setEnergyOutputFrequency()
: BALL::MolecularDynamics
, BALL::EnergyMinimizer
- setEnergyToAbort()
: BALL::MolecularDynamics
, BALL::EnergyMinimizer
- setEpsilon()
: BALL::RombergIntegrator< Function, DataType >
- setEquations()
: BALL::QSAR::FitModel
- setEquivalences()
: BALL::MMFF94ParametersBase
- setError_()
: BALL::VIEW::PyWidget
- setErrorText()
: BALL::VIEW::EditSingleShortcut
- setESParameters()
: BALL::MMFF94ChargeProcessor
- setExponent()
: BALL::MutablePower< Function, DataType >
- setExpression()
: BALL::Expression
, BALL::Selector
, BALL::CreateSpectrumProcessor
, BALL::SimpleExperiment1D
, BALL::NumberOfHydrogenBondAcceptors
, BALL::NumberOfHydrogenBondDonors
, BALL::NumberOfHydrophobicAtoms
- setEyeDistance()
: BALL::VIEW::Stage
- setFace()
: BALL::GraphEdge< Vertex, Edge, Face >
, BALL::SolventAccessibleSurface
- setFDPBDialog()
: BALL::VIEW::CalculateFDPBThread
- setFile()
: BALL::Exception::GlobalExceptionHandler
- setFileName()
: BALL::VIEW::POVRenderer
, BALL::VIEW::STLRenderer
, BALL::VIEW::VRMLRenderer
, BALL::VIEW::FileObserver
- setFilename()
: BALL::INIFile
, BALL::Parameters
, BALL::PDBInfo
, BALL::ShiftModel
, BALL::ShiftModel1D
, BALL::ShiftModel2D
, BALL::AssignRadiusProcessor
, BALL::FragmentDB
, BALL::VIEW::ExportGeometryDialog
, BALL::VIEW::PythonSettings
, BALL::VIEW::TestFramework
- setFilter()
: BALL::VIEW::ShortcutTableView
- setFinalizeOnDestruct()
: BALL::MPISupport
- setFinished()
: BALL::ConnectedToPredicate::CTPNode
- setFirst()
: BALL::Addition< First, Second, DataType >
, BALL::Subtraction< First, Second, DataType >
, BALL::Product< First, Second, DataType >
, BALL::Division< First, Second, DataType >
- setFirstAtom()
: BALL::Bond
- setFirstColor()
: BALL::VIEW::ResidueNumberColorProcessor
- setFirstEdge()
: BALL::SmartsParser::SPNode
- setFirstMolecule()
: BALL::ScoringFunction
- setFirstSPEdge()
: BALL::SmartsParser::SPEdge
- setFirstSPNode()
: BALL::SmartsParser::SPEdge
- setFlags()
: BALL::VIEW::PixelFormat
- setFlushToDiskFrequency()
: BALL::SnapShotManager
- setFocalDistance()
: BALL::VIEW::Stage
- setFogIntensity()
: BALL::VIEW::Stage
- setFont()
: BALL::VIEW::MainControlPreferences
, BALL::VIEW::LabelModel
, BALL::VIEW::Label
- setFontSize()
: BALL::VIEW::Label
- setForce()
: BALL::Atom
- setForceBase()
: BALL::VIEW::ModelSettingsDialog
- setForceField()
: BALL::ForceFieldComponent
, BALL::SnapShotManager
, BALL::DNAMutator
, BALL::AmberEvaluation
, BALL::ForceFieldEvaluation
- setForceMaxLenght()
: BALL::VIEW::ModelSettingsDialog
- setForceOffset()
: BALL::VIEW::ModelSettingsDialog
- setForceScaling()
: BALL::VIEW::ModelSettingsDialog
- setForceStorage()
: BALL::TRRFile
- setFormalCharge()
: BALL::Atom
, BALL::SmilesParser::SPAtom
- setFormalCharge_()
: BALL::VIEW::EditableScene
- setFormat()
: BALL::VIEW::FrameBuffer
- setFPSEnabled()
: BALL::VIEW::Scene
- setFracVar()
: BALL::QSAR::KPCRModel
, BALL::QSAR::PCRModel
- setFragmentDB()
: BALL::ElectrostaticPotentialCalculator
, BALL::DNAMutator
, BALL::FragmentDB::NormalizeNamesProcessor
, BALL::FragmentDB::BuildBondsProcessor
, BALL::Peptides::PeptideBuilder
, BALL::ReconstructFragmentProcessor
- setFrameBufferFormat()
: BALL::VIEW::BufferedRenderer
- setFullScreen()
: BALL::VIEW::Scene
- setFunction()
: BALL::Reciprocal< Function, DataType >
, BALL::SquareFunction< Function, DataType >
, BALL::CubicFunction< Function, DataType >
, BALL::MutablePower< Function, DataType >
, BALL::NumericalIntegrator< Function, DataType >
- setGeometricObjects()
: BALL::VIEW::Representation
- setGLRenderer()
: BALL::VIEW::MeshBuffer
, BALL::VIEW::Scene
- setGreen()
: BALL::VIEW::ColorRGBA
- setGrid()
: BALL::VIEW::ContourSurfaceDialog
, BALL::VIEW::GridVisualizationDialog
, BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::RaytraceableContourSurfaceDialog
, BALL::VIEW::GridVisualisation
- setGroup()
: BALL::Element
- setGuest()
: BALL::VIEW::DockWidget
- setHandleStreamsExternally()
: BALL::XDRPersistenceManager
- setHAtom()
: BALL::CHPI::CHGroup
- setHBondRadius()
: BALL::VIEW::ModelSettingsDialog
- setHeight()
: BALL::TBox3< T >
, BALL::VIEW::FrameBufferFormat
- setHeightVector()
: BALL::TBox3< T >
- setHelixColor()
: BALL::VIEW::SecondaryStructureColorProcessor
- setHelixRadius()
: BALL::VIEW::AddCartoonModel
- setHidden()
: BALL::VIEW::ClippingPlane
, BALL::VIEW::Representation
- setHue()
: BALL::VIEW::ColorHSV
- setHumanReadable()
: BALL::VIEW::POVRenderer
- setHydrophobicColor()
: BALL::VIEW::ResidueTypeColorProcessor
- setIcon()
: BALL::VIEW::ModularWidget
- setID()
: BALL::PDBInfo
, BALL::NucleicAcid
, BALL::Nucleotide
, BALL::Protein
, BALL::Residue
- setIdentifier()
: BALL::Embeddable
- setIdentity()
: BALL::TMatrix4x4< T >
, BALL::TQuaternion< T >
- setImportant()
: BALL::VIEW::LogEvent
- setImprovedFlag()
: BALL::StrangLBFGSMinimizer
- setInBrackets()
: BALL::SmilesParser::SPAtom
- setIncidences()
: BALL::TriangulatedSphere
- setIndex()
: BALL::SnapShot
, BALL::GraphEdge< Vertex, Edge, Face >
, BALL::GraphFace< Vertex, Edge, Face >
, BALL::GraphTriangle< Vertex, Edge, Face >
, BALL::GraphVertex< Vertex, Edge, Face >
, BALL::VIEW::EditSingleShortcut
- setIndices()
: BALL::TriangulatedSurface
- setInfoColor()
: BALL::VIEW::Stage
- setINIFileSectionName()
: BALL::VIEW::PreferencesEntry
- setInitialGuess()
: BALL::QSAR::FitModel
- setInsertionCode()
: BALL::Nucleotide
, BALL::Residue
- setInteger()
: BALL::Options
- setIntensity()
: BALL::Peak< PositionType >
, BALL::VIEW::LightSource
- setIntercept()
: BALL::ScoringFunction
- setInternal()
: BALL::SmartsParser::SPEdge
, BALL::SmartsParser::SPNode
- setInterpolationBoundaries()
: BALL::VIEW::ColorMap
- setIntersectionPoint()
: BALL::RSEdge
- setIntervals()
: BALL::PiecewiseFunction
- setIsotope()
: BALL::SmilesParser::SPAtom
- setIstream()
: BALL::PersistenceManager
- setIterator()
: BALL::ConstBidirectionalFilterIterator< Predicate, IteratorBidirectional >
, BALL::ConstForwardFilterIterator< Predicate, IteratorForward >
- setKineticEnergy()
: BALL::SnapShot
- setKw()
: BALL::QSAR::ALLModel
- setLabelText_()
: BALL::VIEW::ModelSettingsDialog
- setLastColor()
: BALL::VIEW::ResidueNumberColorProcessor
- setLevel()
: BALL::LogStream
- setLigand()
: BALL::ScoringFunction
- setLights()
: BALL::VIEW::GLRenderer
, BALL::VIEW::Renderer
, BALL::VIEW::RenderSetup
, BALL::VIEW::TilingRenderer
- setLine()
: BALL::Exception::GlobalExceptionHandler
, BALL::INIFile
- setLine_()
: BALL::INIFile::IteratorTraits_
- setLinked()
: BALL::ConnectedToPredicate::CTPNode
- setLocked()
: BALL::VIEW::ServerWidget::BALLViewServer
- setLoggingFilename()
: BALL::VIEW::MainControl
- setLogicalOperator()
: BALL::SmartsParser::SPEdge
, BALL::SmartsParser::SPNode
- setLookAtPosition()
: BALL::VIEW::Camera
- setLookUpVector()
: BALL::VIEW::Camera
- setLower()
: BALL::ScoringBaseFunction
, BALL::FermiBaseFunction
- setLowerBound()
: BALL::CubicSpline1D
, BALL::LineSearch
- setLowerDerivative()
: BALL::CubicSpline1D
- setMainControl()
: BALL::VIEW::AtomOverview::ApplyProcessor
, BALL::VIEW::BALLThread
- setMajorRadiusOfTorus()
: BALL::RSEdge
- setMatrix()
: BALL::VIEW::TransformationMessage
- setMaxColor()
: BALL::VIEW::InterpolateColorProcessor
- setMaxDistanceColor()
: BALL::VIEW::AtomDistanceColorProcessor
- setMaxGradient()
: BALL::EnergyMinimizer
, BALL::VIEW::MinimizationDialog
- setMaximalNumberOfIterations()
: BALL::MolecularDynamics
- setMaximalSimulationTime()
: BALL::MolecularDynamics
- setMaximumDisplacement()
: BALL::EnergyMinimizer
- setMaximumNumberOfErrors()
: BALL::ForceField
, BALL::ScoringFunction
- setMaximumUnassignedAtoms()
: BALL::AssignBaseProcessor
, BALL::Templates
- setMaxIterations()
: BALL::VIEW::MinimizationDialog
- setMaxLength()
: BALL::VIEW::ForceModel
- setMaxLevel()
: BALL::LogStream
- setMaxNumberOfIterations()
: BALL::EnergyMinimizer
- setMaxNumOfColumns()
: BALL::ShiftedLVMMMinimizer
- setMaxNumOfStoredVectPairs()
: BALL::StrangLBFGSMinimizer
- setMaxNumSteps()
: BALL::RombergIntegrator< Function, DataType >
- setMaxOptimizationSteps()
: BALL::DNAMutator
- setMaxSameEnergy()
: BALL::EnergyMinimizer
- setMaxSteps()
: BALL::LineSearch
- setMaxValue()
: BALL::VIEW::GridVisualizationDialog
, BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::InterpolateColorProcessor
, BALL::VIEW::GridColorWidget
- setMenuHelp()
: BALL::VIEW::ModularWidget
- setMenuHint()
: BALL::VIEW::MainControl
, BALL::VIEW::ModularWidget
- setMesh()
: BALL::VIEW::MeshBuffer
- setMessage()
: BALL::Exception::GeneralException
, BALL::Exception::GlobalExceptionHandler
, BALL::VIEW::LogEvent
, BALL::VIEW::MessageEvent
- setMicroCanonical()
: BALL::VIEW::MolecularDynamicsDialog
- setMiddleColor()
: BALL::VIEW::ResidueNumberColorProcessor
- setMidValue()
: BALL::VIEW::GridVisualizationDialog
, BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::GridColorWidget
- setMinColor()
: BALL::VIEW::InterpolateColorProcessor
- setMinGridSpacing()
: BALL::VIEW::ColorProcessor
- setMinimizer()
: BALL::LineSearch
, BALL::DNAMutator
- setMinLevel()
: BALL::LogStream
- setMinMaxColors()
: BALL::VIEW::ColorMap
- setMinQuality()
: BALL::QSAR::AutomaticModelCreator
- setMinValue()
: BALL::VIEW::GridVisualizationDialog
, BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::InterpolateColorProcessor
, BALL::VIEW::GridColorWidget
- setMMFF94()
: BALL::VIEW::MMFF94ConfigurationDialog
- setMMFF94Dialog()
: BALL::VIEW::MinimizationDialog
, BALL::VIEW::MolecularDynamicsDialog
- setMode()
: BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::InterpolateColorProcessor
, BALL::VIEW::LabelModel
, BALL::VIEW::EditableScene
, BALL::VIEW::Scene
- setModel()
: BALL::QSAR::FeatureSelection
- setModelData()
: BALL::VIEW::ComboBoxDelegate
- setModelInformation()
: BALL::VIEW::MainControl
, BALL::VIEW::Representation
- setModelProcessor()
: BALL::VIEW::Representation
- setModelSettingsDialog()
: BALL::VIEW::DisplayProperties
- setModelType()
: BALL::VIEW::Representation
, BALL::VIEW::ColorProcessor
- setMolecularDynamics()
: BALL::VIEW::MDSimulationThread
- setMolecule()
: BALL::CIFFile
- setMoleculeName()
: BALL::GAMESSDatFile
, BALL::GAMESSLogFile
- setMouseSensitivity()
: BALL::VIEW::Scene
- setMouseWheelSensitivity()
: BALL::VIEW::Scene
- setMpiInfo()
: BALL::MPISupport
- setMultithreading()
: BALL::VIEW::MainControl
- setMutations()
: BALL::SideChainPlacementProcessor
- setName()
: BALL::Exception::GlobalExceptionHandler
, BALL::Options
, BALL::CIFFile::Datablock
, BALL::PDBInfo
, BALL::Atom
, BALL::AtomContainer
, BALL::Bond
, BALL::Element
, BALL::ForceField
, BALL::ForceFieldComponent
, BALL::ShiftModule
, BALL::Descriptor
, BALL::ScoringComponent
, BALL::SolventDescriptor
, BALL::ResidueRotamerSet
, BALL::File
, BALL::VIEW::Dataset
, BALL::VIEW::Representation
- setNamesTitle()
: BALL::VIEW::ColorTable
- setNamingStandard()
: BALL::FragmentDB::NormalizeNamesProcessor
- setNeedsSSSR()
: BALL::SmartsParser
- setNeedsUpdate()
: BALL::VIEW::Representation
- setNegate()
: BALL::ExpressionTree
- setNextComponentNumberToSubTree()
: BALL::SmartsParser
- setNMRAtomDataSet()
: BALL::NMRStarFile::BALLToBMRBMapper
- setNMRAtomDataSetByName()
: BALL::NMRStarFile::BALLToBMRBMapper
- setNMRStarFile()
: BALL::NMRStarFile::BALLToBMRBMapper
- setNoComponents()
: BALL::QSAR::KPLSModel
, BALL::QSAR::PLSModel
- setNoOrthoComponents()
: BALL::QSAR::OPLSModel
- setNormal()
: BALL::RSFace
, BALL::SESVertex
, BALL::TrianglePoint
, BALL::VIEW::ClippingPlane
, BALL::VIEW::GridVisualisation
- setNormalizationEnabled()
: BALL::VIEW::ColorByGridProcessor
, BALL::VIEW::GridColorWidget
- setNot()
: BALL::SmartsParser::SPBond
, BALL::SmartsParser::SPEdge
, BALL::SmartsParser::SPNode
- setNotProperty()
: BALL::SmartsParser::SPAtom
- setNullDistanceColor()
: BALL::VIEW::AtomDistanceColorProcessor
- setNumberDensity()
: BALL::SolventDescriptor
- setNumberOfATOMRecords()
: BALL::PDBInfo
- setNumberOfAtoms()
: BALL::SnapShot
- setNumberOfColors()
: BALL::VIEW::ColorMap
- setNumberOfFFTTransforms()
: BALL::TFFT1D< ComplexTraits >
, BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
- setNumberOfHETATMRecords()
: BALL::PDBInfo
- setNumberOfiFFTTransforms()
: BALL::TFFT1D< ComplexTraits >
, BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
- setNumberOfIteration()
: BALL::MolecularDynamics
- setNumberOfIterations()
: BALL::EnergyMinimizer
- setNumberOfModels()
: BALL::PDBInfo
- setNumberOfPartners()
: BALL::GAFFCESParser::CESelementConnectionPredicate
, BALL::GAFFCESParser::CESwildcardsConnectionPredicate
- setNumberOfRecords()
: BALL::PDBInfo
- setNumberOfSteps()
: BALL::VIEW::MolecularDynamicsDialog
, BALL::VIEW::MDSimulationThread
- setNumberOfStepsBetweenUpdates()
: BALL::VIEW::SimulationThread
- setNumberOfTorsions()
: BALL::ResidueRotamerSet
- setNumLevels()
: BALL::VIEW::ColorByGridProcessor
- setObject()
: BALL::VIEW::RegisterHelpSystemMessage
- setOccupancy()
: BALL::PDBAtom
- setOffScreenRendering()
: BALL::VIEW::Scene
- setOffset()
: BALL::VIEW::ForceModel
, BALL::VIEW::RenderSetup
- setOmega()
: BALL::Peptides::AminoAcidDescriptor
- setOmega_()
: BALL::Peptides::PeptideBuilder
- setOpenItems()
: BALL::VIEW::NewSelectionMessage
- setOptions()
: BALL::AmberEvaluation
, BALL::ForceFieldEvaluation
- setOrder()
: BALL::Bond
- setOrigin()
: BALL::TRegularData1D< ValueType >
, BALL::TRegularData2D< ValueType >
, BALL::TRegularData3D< ValueType >
, BALL::ShiftModel1D
, BALL::ShiftModel2D
- setOrthographicZoom()
: BALL::VIEW::GLRenderer
- setOstream()
: BALL::PersistenceManager
, BALL::VIEW::POVRenderer
- setOtherColor()
: BALL::VIEW::ResidueTypeColorProcessor
- setParameters()
: BALL::ShiftModule
, BALL::QSAR::ALLModel
, BALL::QSAR::GPModel
, BALL::QSAR::KNNModel
, BALL::QSAR::KPCRModel
, BALL::QSAR::KPLSModel
, BALL::QSAR::LDAModel
, BALL::QSAR::LibsvmModel
, BALL::QSAR::Model
, BALL::QSAR::NBModel
, BALL::QSAR::OPLSModel
, BALL::QSAR::PCRModel
, BALL::QSAR::PLSModel
, BALL::QSAR::RRModel
, BALL::QSAR::SNBModel
- setParameters_()
: BALL::VIEW::RunGAMESSDialog
- setParent()
: BALL::HashGridBox3< Item >
, BALL::ConnectedToPredicate::CTPNode
, BALL::VIEW::AtomOverview
- setParent_()
: BALL::VIEW::ConnectionObject
- setPeaks()
: BALL::ShiftModel1D
, BALL::ShiftModel2D
- setPeriod()
: BALL::Element
- setPhi()
: BALL::Peptides::AminoAcidDescriptor
- setPhysStepWidth()
: BALL::TFFT1D< ComplexTraits >
, BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
- setPitch()
: BALL::VIEW::FrameBufferFormat
- setPixelFormat()
: BALL::VIEW::FrameBufferFormat
- setPoint()
: BALL::TBox3< T >
, BALL::SASVertex
, BALL::SESVertex
, BALL::Triangle
, BALL::TriangleEdge
, BALL::TrianglePoint
, BALL::VIEW::ClippingPlane
, BALL::VIEW::GridVisualisation
- setPolarColor()
: BALL::VIEW::ResidueTypeColorProcessor
- setPort()
: BALL::TCPServer
, BALL::VIEW::ServerWidget
- setPosition()
: BALL::Composite::CompositeIteratorTraits
, BALL::Atom
, BALL::Peak< PositionType >
, BALL::VIEW::LightSource
, BALL::VIEW::Sphere
- setPosition_()
: BALL::VIEW::LightSettings
- setPositionAddress()
: BALL::VIEW::Sphere
- setPositions()
: BALL::CubicSpline1D
- setPotentialEnergy()
: BALL::SnapShot
- setPOVNumber()
: BALL::VIEW::Scene
- setPrecision()
: BALL::TRRFile
- setPredicate()
: BALL::ExpressionTree
, BALL::CompositeIteratorTraits
, BALL::BaseFilterIterator< Predicate, IteratorBase >
- setPreferencesEnabled_()
: BALL::VIEW::MainControl
- setPrefix()
: BALL::LogStream
, BALL::RuleEvaluator
, BALL::VIEW::DownloadPDBFile
- setPreview()
: BALL::VIEW::Scene
- setPreviewMode()
: BALL::VIEW::Renderer
- setProbeRadius()
: BALL::SurfaceProcessor
, BALL::VIEW::AddSurfaceModel
- setProcessor()
: BALL::VIEW::AssignBondOrderResultsDialog
- setProject()
: BALL::VIEW::HelpViewer
- setProjection()
: BALL::VIEW::GLRenderer
- setProjectionMode()
: BALL::VIEW::Camera
- setProperty()
: BALL::PropertyManager
, BALL::SmartsParser::SPAtom
- setPropertyManager()
: BALL::VIEW::PropertyEditor
- setProteinName()
: BALL::Peptides::PeptideBuilder
- setProteins()
: BALL::BackboneClusterer
- setPsi()
: BALL::Peptides::AminoAcidDescriptor
- setPyWidget()
: BALL::VIEW::PyWidget::MyLineEdit
, BALL::VIEW::PyWidget::MyTextEdit
- setQ2()
: BALL::QSAR::RegressionValidation
- setQuadraticValues_()
: BALL::VIEW::MaterialSettings
- setQualityIncreaseCutoff()
: BALL::QSAR::FeatureSelection
- setRadius()
: BALL::Atom
, BALL::VIEW::HBondModelProcessor
, BALL::VIEW::Sphere
, BALL::VIEW::Tube
, BALL::VIEW::TwoColoredTube
- setRange()
: BALL::VIEW::ColorMap
- setRDF()
: BALL::RDFIntegrator
- setRDFIntegrator()
: BALL::Pair6_12InteractionEnergyProcessor
- setRDFParameters()
: BALL::Pair6_12InteractionEnergyProcessor
- setReadPDBModels()
: BALL::VIEW::MolecularFileDialog
- setReal()
: BALL::Options
- setReceiveBufferUpdates()
: BALL::VIEW::RenderSetup
- setReceiver()
: BALL::VIEW::InputDeviceDriver
, BALL::VIEW::InputPlugin
- setReceptor()
: BALL::ScoringFunction
- setRecursive()
: BALL::SmartsParser::SPNode
, BALL::SmartsParser
- setRed()
: BALL::VIEW::ColorRGBA
- setReferenceTemperature()
: BALL::MolecularDynamics
- setRefresh()
: BALL::VIEW::MinimizationDialog
- setRegisterMode()
: BALL::VIEW::RegisterHelpSystemMessage
- setRelativeToCamera()
: BALL::VIEW::LightSource
- setRemotenessIndicator()
: BALL::PDBAtom
- setRenderMode()
: BALL::VIEW::GLRenderer
- setRepresentation()
: BALL::RadialDistributionFunction
, BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::RepresentationMessage
, BALL::VIEW::UpdateRepresentationThread
- setRibbonMode()
: BALL::VIEW::AddBackboneModel
- setRightVector()
: BALL::TBox3< T >
- setRing()
: BALL::CHPI::AromaticRing
- setRings()
: BALL::AddHydrogenProcessor
, BALL::AtomTyper
, BALL::Kekuliser
- setRingSize()
: BALL::RingFinder
- setRoot()
: BALL::SmartsParser
- setRotamer()
: BALL::ResidueRotamerSet
- setRotation()
: BALL::TMatrix4x4< T >
- setRotationX()
: BALL::TMatrix4x4< T >
- setRotationY()
: BALL::TMatrix4x4< T >
- setRotationZ()
: BALL::TMatrix4x4< T >
- setRow()
: BALL::TMatrix4x4< T >
- setRS()
: BALL::SolventAccessibleSurface
- setRSEdge()
: BALL::SESEdge
, BALL::SESFace
- setRSFace()
: BALL::SESFace
- setRSVertex()
: BALL::SESFace
- sets_
: BALL::MOL2File
- setSaturation()
: BALL::VIEW::ColorHSV
- setSaveImages()
: BALL::VIEW::MDSimulationThread
- setScale()
: BALL::TMatrix4x4< T >
- setScaling()
: BALL::VIEW::ForceModel
- setScalingFactorFile()
: BALL::GeneralizedBornModel
- setScalingFactors()
: BALL::GeneralizedBornModel
- setScene()
: BALL::VIEW::AnimationThread
- setScoring()
: BALL::ConformationSet
- setScoringFunction()
: BALL::ScoringComponent
- setScreenShotNumber()
: BALL::VIEW::Scene
- setSecond()
: BALL::Addition< First, Second, DataType >
, BALL::Subtraction< First, Second, DataType >
, BALL::Product< First, Second, DataType >
, BALL::Division< First, Second, DataType >
- setSecondaryStructureType_()
: BALL::SecondaryStructureProcessor
- setSecondAtom()
: BALL::Bond
- setSecondEdge()
: BALL::SmartsParser::SPNode
- setSecondMolecule()
: BALL::ScoringFunction
- setSecondSPEdge()
: BALL::SmartsParser::SPEdge
- setSecondSPNode()
: BALL::SmartsParser::SPEdge
- setSelected()
: BALL::Selectable
, BALL::VIEW::GeometricObjectSelectionMessage
- setSelection()
: BALL::VIEW::GenericSelectionMessage
, BALL::VIEW::GeometricObjectSelectionMessage
- setSelection_()
: BALL::VIEW::MolecularControl
- setSender()
: BALL::VIEW::Message
- setShiftRange()
: BALL::Bruker2DFile
- setShininess()
: BALL::VIEW::Stage
- setShortcutText()
: BALL::VIEW::EditSingleShortcut
- setShowLightSources()
: BALL::VIEW::Scene
- setShowOnlyInLogView()
: BALL::VIEW::LogEvent
- setShowSelected()
: BALL::VIEW::AtomDistanceColorProcessor
- setShowSelectionInfos()
: BALL::VIEW::CompositeMessage
- setSimulationThread()
: BALL::VIEW::MainControl
- setSingular()
: BALL::RSEdge
, BALL::RSFace
- setSize()
: BALL::VIEW::Renderer
, BALL::BitVector
, BALL::VIEW::GLRenderer
, BALL::VIEW::TilingRenderer
- setSmoothLines()
: BALL::VIEW::GLRenderer
- setSnapShotFrequency()
: BALL::EnergyMinimizer
, BALL::MolecularDynamics
- setSnapShotManager()
: BALL::VIEW::SnapshotVisualisationDialog
- setSoluteDC()
: BALL::GeneralizedBornModel
- setSolventAtomDescriptorList()
: BALL::SolventDescriptor
- setSolventDC()
: BALL::GeneralizedBornModel
- setSolventDescriptor()
: BALL::Pair6_12InteractionEnergyProcessor
- setSource()
: BALL::VIEW::DragLogView
- setSpaceGroup()
: BALL::CrystalInfo
- setSpacing()
: BALL::Spectrum< DataT, PeakT, PositionT >
- setSPAtom()
: BALL::SmartsParser::SPNode
- setSPBond()
: BALL::SmartsParser::SPEdge
- setSpecialCharacters_()
: BALL::NMRStarFile
- setSpecularIntensity()
: BALL::VIEW::Stage
- setSphere()
: BALL::SASFace
- setSplitRadius()
: BALL::VIEW::ModifyRepresentationDialog
- setSSSR()
: BALL::SmartsParser
, BALL::SmartsMatcher
- setStage()
: BALL::VIEW::SceneMessage
, BALL::VIEW::Renderer
- setStatusbarText()
: BALL::VIEW::ModularWidget
, BALL::VIEW::DatasetController
, BALL::VIEW::MainControl
, BALL::VIEW::ModularWidget
- setStereoMode()
: BALL::VIEW::GLRenderer
, BALL::VIEW::RenderSetup
- setStickRadius()
: BALL::VIEW::AddBallAndStickModel
- setSticks()
: BALL::Spectrum< DataT, PeakT, PositionT >
- setStickStickRadius()
: BALL::VIEW::ModelSettingsDialog
- setStrandColor()
: BALL::VIEW::SecondaryStructureColorProcessor
- setStrandHeight()
: BALL::VIEW::AddCartoonModel
- setStrandWidth()
: BALL::VIEW::AddCartoonModel
- setStyle()
: BALL::VIEW::MainControlPreferences
- setSuffix()
: BALL::VIEW::DownloadPDBFile
- setSurfaceDrawingPrecision()
: BALL::VIEW::DisplayProperties
, BALL::VIEW::Representation
, BALL::VIEW::ModelProcessor
- setSurfaceProbeRadius()
: BALL::VIEW::ModelSettingsDialog
- setSwapEndian()
: BALL::BinaryFileAdaptor< T >
- setSwapSideBySideStereo()
: BALL::VIEW::Stage
- setSymbol()
: BALL::Element
, BALL::ConnectedToPredicate::CTPNode
- setSysPath()
: BALL::PyInterpreter
- setSystem()
: BALL::VIEW::SDWidget
, BALL::SnapShotManager
, BALL::ShiftModel1D
, BALL::ShiftModel2D
, BALL::VIEW::FDPBDialog
, BALL::CrystalGenerator
- setSystems()
: BALL::VIEW::DockDialog
- setTable()
: BALL::VIEW::AtomOverview::OverviewProcessor
, BALL::VIEW::AtomOverview::ApplyProcessor
- setTemperature()
: BALL::VIEW::MolecularDynamicsDialog
- setTemperatureFactor()
: BALL::PDBAtom
- setTemplateResidue()
: BALL::ResidueRotamerSet
- setTestLine()
: BALL::QSAR::Validation
- setText()
: BALL::VIEW::LabelModel
, BALL::VIEW::Label
- setTexture()
: BALL::VIEW::GridVisualisation
- setTextureUpDirection_()
: BALL::VIEW::StageSettings
- setTimeout()
: BALL::SimpleDownloader
- setTimeStep()
: BALL::MicroCanonicalMD
- setTimestep()
: BALL::TRRFile
- setTimeStep()
: BALL::CanonicalMD
, BALL::MolecularDynamics
, BALL::VIEW::MolecularDynamicsDialog
- setting_content_
: BALL::VIEW::ColorTable
- setTo()
: BALL::TContourSurface< T >::Cube
- setTorsionAngle_()
: BALL::ResidueRotamerSet
- setTorsionPhi()
: BALL::ResidueRotamerSet
- setTorsionPsi()
: BALL::ResidueRotamerSet
- setTrainingLine()
: BALL::QSAR::Validation
- setTraits()
: BALL::BaseIterator< Container, DataType, Position, Traits >
, BALL::BaseFilterIterator< Predicate, IteratorBase >
, BALL::BaseIterator< Container, DataType, Position, Traits >
- setTrajectoryFile()
: BALL::SnapShotManager
- setTransformation()
: BALL::TransformationProcessor
- setTranslation()
: BALL::TranslationProcessor
, BALL::TMatrix4x4< T >
- setTransparency()
: BALL::VIEW::DisplayProperties
, BALL::VIEW::Representation
, BALL::VIEW::ColorProcessor
, BALL::VIEW::ElementColorProcessor
, BALL::VIEW::ResidueNameColorProcessor
, BALL::VIEW::SecondaryStructureColorProcessor
, BALL::VIEW::ResidueTypeColorProcessor
- setTransparency_()
: BALL::VIEW::GridColorWidget
- setTransparencyEnabled()
: BALL::VIEW::GridColorWidget
- setTriangle()
: BALL::TriangleEdge
- setTubeRadius()
: BALL::VIEW::ModelSettingsDialog
, BALL::VIEW::AddBackboneModel
- setTurnColor()
: BALL::VIEW::SecondaryStructureColorProcessor
- setTurnPoint()
: BALL::VIEW::Scene
- setType()
: BALL::Atom
, BALL::VIEW::MolecularTaskMessage
, BALL::VIEW::DatasetMessage
, BALL::Bond
, BALL::ExpressionTree
, BALL::SecondaryStructure
, BALL::SESEdge
, BALL::SESFace
, BALL::SurfaceProcessor
, BALL::VIEW::Dataset
, BALL::VIEW::CompositeMessage
, BALL::VIEW::SceneMessage
, BALL::VIEW::RepresentationMessage
, BALL::VIEW::LightSource
, BALL::VIEW::AddSurfaceModel
- setType_()
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- setTypeName()
: BALL::Atom
- setUnit()
: BALL::Descriptor
- setUnitConversionFactor()
: BALL::GAMESSLogFile
- setUnsignedChar()
: BALL::BitVector
- setUnsignedInt()
: BALL::BitVector
- setUnsignedLong()
: BALL::BitVector
- setUnsignedShort()
: BALL::BitVector
- setup()
: BALL::GeometricFit
, BALL::ConformationSet
, BALL::FDPB
, BALL::Lipophilic
, BALL::AromaticRingStacking
, BALL::ScoringFunction
, BALL::EnergyMinimizer
, BALL::MolecularDynamics
, BALL::CanonicalMD
, BALL::CharmmTorsion
, BALL::CharmmBend
, BALL::AmberBend
, BALL::RandomNumberGenerator
, BALL::AmberNonBonded
, BALL::AmberStretch
, BALL::AmberTorsion
, BALL::CharmmImproperTorsion
, BALL::CharmmNonBonded
, BALL::CharmmStretch
, BALL::ForceField
, BALL::ForceFieldComponent
, BALL::PeriodicBoundary
, BALL::SnapShotManager
, BALL::CanonicalMD
, BALL::MicroCanonicalMD
, BALL::MolecularDynamics
, BALL::EnergyMinimizer
, BALL::MMFF94NonBonded
, BALL::MMFF94OutOfPlaneBend
, BALL::MMFF94ChargeProcessor
, BALL::MMFF94StretchBend
, BALL::MMFF94Torsion
, BALL::ScoringComponent
, BALL::ScoringFunction
, BALL::ScoringTypes
, BALL::BuriedPolar
, BALL::CHPI
, BALL::HydrogenBond
, BALL::ChemScoreMetal
, BALL::NonpolarSolvation
, BALL::PolarSolvation
, BALL::RotationalEntropyLoss
, BALL::VanDerWaals
, BALL::FresnoTypes
, BALL::GeneralizedBornModel
, BALL::FDPB
, BALL::AtomTyper
, BALL::DNAMutator
, BALL::DockingAlgorithm
, BALL::GeometricFit
, BALL::Kekuliser
, BALL::VIEW::EditSingleShortcut
, BALL::VIEW::SnapshotManagerInterface
- setUp()
: BALL::VIEW::FakeDriver
, BALL::VIEW::InputDeviceDriver
- setup_()
: BALL::VIEW::IconLoader
, BALL::MMFF94TorsionParameters
, BALL::MMFF94AtomTypes
, BALL::MMFF94ParametersBase
, BALL::MMFF94AtomTypeEquivalences
, BALL::MMFF94StretchParameters
, BALL::MMFF94BendParameters
, BALL::MMFF94StretchBendParameters
, BALL::MMFF94PlaneParameters
, BALL::MMFF94VDWParameters
, BALL::MMFF94ESParameters
, BALL::VIEW::MainControl
, BALL::VIEW::ColorButton
, BALL::VIEW::SDWidget
- setup_ff_
: BALL::VIEW::MolecularStructure
- setup_time_stamp_
: BALL::ForceField
- setupAromaticTypes()
: BALL::MMFF94AtomTyper
- setupAtomArray()
: BALL::FDPB
- setupBends_()
: BALL::MMFF94StretchBend
- setupBoundary()
: BALL::FDPB
- setUpdateInterval()
: BALL::VIEW::FileObserver
- setUpdateMethod()
: BALL::ShiftedLVMMMinimizer
, BALL::ConjugateGradientMinimizer
- setUpdateRepresentations()
: BALL::VIEW::CompositeMessage
- setupEpsGrid()
: BALL::FDPB
- setupForceField()
: BALL::VIEW::MolecularStructure
- setupForceField_()
: BALL::VIEW::MolecularStructure
- setupGridClipPlanes_()
: BALL::VIEW::GLRenderer
- setupHydrogenTypes()
: BALL::MMFF94AtomTyper
- setupKappaGrid()
: BALL::FDPB
- setUpper()
: BALL::ScoringBaseFunction
, BALL::FermiBaseFunction
- setUpperBound()
: BALL::CubicSpline1D
- setUpperDerivative()
: BALL::CubicSpline1D
- setupPhiGrid()
: BALL::FDPB
- setupQGrid()
: BALL::FDPB
- setupSASGrid()
: BALL::FDPB
- setupStereo()
: BALL::VIEW::Renderer
, BALL::VIEW::GLRenderer
- setupStretchBends_()
: BALL::MMFF94StretchBend
- setupStretches_()
: BALL::MMFF94StretchBend
- setupSymbolsToTypes()
: BALL::MMFF94AtomTyper
- setupUi_()
: BALL::VIEW::PropEditorWidget
, BALL::VIEW::PropertyEditor
- setupViewVolume()
: BALL::VIEW::Scene
- setURL()
: BALL::SimpleDownloader
, BALL::VIEW::RegisterHelpSystemMessage
- setUseConjugateGradient()
: BALL::VIEW::MinimizationDialog
- setUsedProperty()
: BALL::DNAMutator
- setUseFormalCharges()
: BALL::Kekuliser
- setUsePotentialGrid()
: BALL::VIEW::FieldLineCreator
- setUser2ScreenDistance_()
: BALL::VIEW::StageSettings
- setUserEyeDistance_()
: BALL::VIEW::StageSettings
- setUserEyeLevel_()
: BALL::VIEW::StageSettings
- setUseShiftedLVMM()
: BALL::VIEW::MinimizationDialog
- setUseStrangLBFGS()
: BALL::VIEW::MinimizationDialog
- setValue()
: BALL::VIEW::HotkeyTable
, BALL::INIFile
, BALL::PreferencesObject
, BALL::ResourceEntry
, BALL::PluginManager
, BALL::VIEW::ColorHSV
, BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject
, BALL::VIEW::ShortcutRegistry
, BALL::VIEW::BALLMenuLike< QMenuLike >
, BALL::VIEW::ColorTable
- setValue_()
: BALL::VIEW::ModelSettingsDialog
, BALL::VIEW::PreferencesEntry
- setValues()
: BALL::CubicSpline1D
- setValues_()
: BALL::VIEW::MaterialSettings
- setVanDerWaalsRadius()
: BALL::Element
- setVDWRadiusFactor()
: BALL::VIEW::ModelSettingsDialog
, BALL::VIEW::AddVanDerWaalsModel
- setVector()
: BALL::Options
- setVelocity()
: BALL::Atom
- setVelocityStorage()
: BALL::TRRFile
- setVerbosity()
: BALL::CubicSpline1D
, BALL::CubicSpline2D
- setVertex()
: BALL::VIEW::Vertex
, BALL::GraphEdge< Vertex, Edge, Face >
, BALL::GraphTriangle< Vertex, Edge, Face >
, BALL::SolventAccessibleSurface
, BALL::VIEW::Vertex
- setVertex1()
: BALL::VIEW::Vertex2
- setVertex1Address()
: BALL::VIEW::Vertex2
- setVertex2()
: BALL::VIEW::Vertex2
- setVertex2Address()
: BALL::VIEW::Vertex2
- setVertexAddress()
: BALL::VIEW::Vertex
- setVertexAddresses()
: BALL::VIEW::Vertex2
- setVertices()
: BALL::VIEW::Vertex2
- setViewPoint()
: BALL::VIEW::Camera
- setViewPoint_()
: BALL::VIEW::Scene
- setVRMLNumber()
: BALL::VIEW::Scene
- setWhatsThisEnabled()
: BALL::VIEW::HelpViewer
- setWidgetStack()
: BALL::VIEW::PreferencesEntry
- setWidgetStackName()
: BALL::VIEW::PreferencesEntry
- setWidgetVisible()
: BALL::VIEW::DockWidget
, BALL::VIEW::Scene
- setWidth()
: BALL::TBox3< T >
, BALL::CreateSpectrumProcessor
, BALL::Peak< PositionType >
, BALL::VIEW::FrameBufferFormat
- setWildcards()
: BALL::GAFFCESParser::CESwildcardsPredicate
, BALL::GAFFCESParser::CESwildcardsConnectionPredicate
- setWorkingDir()
: BALL::VIEW::MainControl
, BALL::VIEW::ModularWidget
- setWorkingDirFromFilename_()
: BALL::VIEW::ModularWidget
- setXDefaultValues()
: BALL::CubicSpline2D
- setXLowerBounds()
: BALL::CubicSpline2D
- setXLowerDerivatives()
: BALL::CubicSpline2D
- setXTol()
: BALL::LineSearch
- setXUpperBounds()
: BALL::CubicSpline2D
- setXUpperDerivatives()
: BALL::CubicSpline2D
- setYDefaultValue()
: BALL::CubicSpline2D
- setYLowerBound()
: BALL::CubicSpline2D
- setYLowerDerivative()
: BALL::CubicSpline2D
- setYUpperBound()
: BALL::CubicSpline2D
- setYUpperDerivative()
: BALL::CubicSpline2D
- setZEType()
: BALL::SmartsParser::SPBond
, BALL::SmilesParser::SPBond
- setZScore()
: BALL::CrystalInfo
- sg_symops_
: BALL::CrystalInfo
- SHANNO
: BALL::ConjugateGradientMinimizer
- share_from_
: BALL::VIEW::GLOffscreenTarget
- shared_bonds
: BALL::RingAnalyser::Ring
- sheet_
: BALL::SecondaryStructureProcessor
- sheet_ID
: BALL::PDB::RecordSHEET
- sheet_list_
: BALL::PDBFile
- sheet_records
: BALL::PDB::BookKeeping
- shift()
: BALL::TriangulatedSurface
, BALL::TContourSurface< T >::Cube
- SHIFT
: BALL::VIEW::HotkeyTable
- shift_map_
: BALL::RandomCoilShiftProcessor
- shift_references_
: BALL::NMRStarFile
- shift_s_
: BALL::ShiftedLVMMMinimizer
- shift_units
: BALL::NMRStarFile::ShiftReferenceElement
- shift_value
: BALL::NMRStarFile::ShiftReferenceElement
, BALL::NMRStarFile::NMRAtomData
- shifted_direction_
: BALL::ShiftedLVMMMinimizer
- ShiftedLVMMMinimizer()
: BALL::ShiftedLVMMMinimizer
- ShiftHyperSurface_()
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- ShiftModel()
: BALL::ShiftModel
- ShiftModel1D()
: BALL::ShiftModel1D
- ShiftModel2D()
: BALL::ShiftModel2D
- ShiftModule()
: BALL::ShiftModule
- ShiftReferenceElement()
: BALL::NMRStarFile::ShiftReferenceElement
- ShiftReferenceSet()
: BALL::NMRStarFile::ShiftReferenceSet
- shifts
: BALL::NMRStarFile::MolecularSystem::ChemicalUnit
- ShiftXwise_hydrogen_bonds_computation_
: BALL::HBondShiftProcessor
- shininess
: BALL::VIEW::Stage::RaytracingMaterial
- shininess_
: BALL::VIEW::Stage
- shininessFactorChanged()
: BALL::VIEW::MaterialSettings
- shortcut_
: BALL::VIEW::TestFramework
- shortcut_keys_
: BALL::VIEW::ShortcutRegistry
- shortcut_registry_
: BALL::VIEW::MainControl
- shortcutChanged()
: BALL::VIEW::ShortcutRegistry
, BALL::VIEW::ShortcutTableView
- shortcutChanged_()
: BALL::VIEW::ShortcutDialog
- ShortcutDialog()
: BALL::VIEW::ShortcutDialog
- ShortcutRegistry()
: BALL::VIEW::ShortcutRegistry
- shortcuts_
: BALL::VIEW::ShortcutRegistry
- ShortcutTableModel()
: BALL::VIEW::ShortcutTableModel
- ShortcutTableView()
: BALL::VIEW::ShortcutTableView
- show()
: BALL::QSAR::RegressionModel
, BALL::VIEW::AssignBondOrderResultsDialog
, BALL::VIEW::DisplayProperties
, BALL::VIEW::DockResultDialog
, BALL::VIEW::GeometricFitDialog
, BALL::VIEW::LabelDialog
, BALL::VIEW::ModifyRepresentationDialog
, BALL::VIEW::Preferences
, BALL::VIEW::PubChemDialog
, BALL::VIEW::SnapshotVisualisationDialog
, BALL::VIEW::UndoManagerDialog
, BALL::VIEW::MainControl
, BALL::VIEW::DemoTutorialDialog
, BALL::Mainframe
, BALL::VIEW::StereoSettingsDialog
, BALL::VIEW::DockProgressDialog
- show_coordinate_system_
: BALL::VIEW::Stage
- show_fps_
: BALL::VIEW::Scene
- SHOW_HYDROGENS
: BALL::SDGenerator::Option
, BALL::VIEW::SDWidget::Option
, BALL::VIEW::SDWidget::Default
, BALL::SDGenerator::Default
- show_light_sources_
: BALL::VIEW::Renderer
, BALL::VIEW::Scene
- show_preview_
: BALL::VIEW::Renderer
- show_ruler_
: BALL::VIEW::RenderSetup
- show_selection_
: BALL::VIEW::AtomDistanceColorProcessor
- show_selection_infos_
: BALL::VIEW::CompositeMessage
- show_ss_
: BALL::VIEW::MolecularControl
- show_ss_id_
: BALL::VIEW::MolecularControl
- show_window_enty_
: BALL::VIEW::ModularWidget
- showAmberForceFieldOptions()
: BALL::VIEW::MolecularStructure
- showAngle()
: BALL::VIEW::MolecularControl
- showAtomOverview()
: BALL::VIEW::MolecularControl
- showAtomOverviewForSelection()
: BALL::VIEW::MolecularControl
- showBondOrderAssignmentResults()
: BALL::VIEW::MolecularStructure
- showCharmmForceFieldOptions()
: BALL::VIEW::MolecularStructure
- showClassDocu()
: BALL::VIEW::PyWidget
- showCompletion()
: BALL::VIEW::PyWidget
- showContextMenu()
: BALL::VIEW::EditableScene
, BALL::VIEW::PyWidget
- showCoordinateSystem()
: BALL::VIEW::Stage
- showDemo()
: BALL::VIEW::DemoTutorialDialog
- ShowDisplayPropertiesMessage()
: BALL::VIEW::ShowDisplayPropertiesMessage
- showDistance()
: BALL::VIEW::MolecularControl
- showDockingOptions()
: BALL::VIEW::DockResultDialog
- showDockResult()
: BALL::VIEW::DockResultController
- showDocumentation()
: BALL::VIEW::PyWidget
- showDocumentationFor()
: BALL::VIEW::HelpViewer
- showDocumentationForObject()
: BALL::VIEW::HelpViewer
- showEditContextMenu()
: BALL::VIEW::PyWidget
- showEntry()
: BALL::VIEW::Preferences
- showExportPNGDialog()
: BALL::VIEW::Scene
- showExportVRMLDialog()
: BALL::VIEW::Scene
- showFilename()
: BALL::VIEW::MolecularControl
- showGuestContextMenu()
: BALL::VIEW::DatasetControl
, BALL::VIEW::DockWidget
, BALL::VIEW::LogView
, BALL::VIEW::MolecularControl
, BALL::VIEW::GeometricControl
- showHelp()
: BALL::VIEW::Preferences
, BALL::VIEW::HelpViewer
, BALL::VIEW::ModularWidget
- showHelp_()
: BALL::VIEW::PyWidget
- showHelpFor()
: BALL::VIEW::HelpViewer
- ShowHelpMessage()
: BALL::VIEW::ShowHelpMessage
- showInfos()
: BALL::VIEW::Scene
- showLightSources()
: BALL::VIEW::Renderer
- showLightSourcesEnabled()
: BALL::VIEW::Scene
- showMMFF94ForceFieldOptions()
: BALL::VIEW::MolecularStructure
- showObjects()
: BALL::VIEW::CanvasWidget
- showOnlyInLogView()
: BALL::VIEW::LogEvent
- showOnlySelection()
: BALL::VIEW::AtomOverview
, BALL::VIEW::AtomOverview::OverviewProcessor
, BALL::VIEW::AtomOverview::ApplyProcessor
- showRuler()
: BALL::VIEW::RenderSetup
- showScoringOptions_()
: BALL::VIEW::DockResultDialog
- showSelected()
: BALL::VIEW::AtomDistanceColorProcessor
- showSelectionInfos()
: BALL::VIEW::CompositeMessage
- showSelectorHelp()
: BALL::VIEW::MolecularControl
- showSnapshot()
: BALL::VIEW::DockResultDialog
- showStackPage()
: BALL::VIEW::PreferencesEntry
- showText()
: BALL::VIEW::Scene
- showTutorial()
: BALL::VIEW::DemoTutorialDialog
- showViewPoint_()
: BALL::VIEW::Scene
- shrink()
: BALL::TriangulatedSurface
- Si
: BALL::Element
- SideChainPlacementProcessor()
: BALL::SideChainPlacementProcessor
- sig11
: BALL::PDB::RecordSIGUIJ
- sig12
: BALL::PDB::RecordSIGUIJ
- sig13
: BALL::PDB::RecordSIGUIJ
- sig22
: BALL::PDB::RecordSIGUIJ
- sig23
: BALL::PDB::RecordSIGUIJ
- sig33
: BALL::PDB::RecordSIGUIJ
- sig_w
: BALL::CharmmEEF1::Values
- sig_w_
: BALL::CharmmEEF1
- sigma_
: BALL::QSAR::LDAModel
- SIGNED_INT_CHANNEL
: BALL::VIEW::ChannelFormat
- silent_
: BALL::VIEW::PyWidget
- SILICIUM
: BALL::Element
- SILICON
: BALL::Element
- SILVER
: BALL::Element
- SIMPLE
: BALL::AssignBondOrderProcessor::Heuristic
, BALL::AssignBondOrderProcessor
- SimpleBase()
: BALL::SimpleBase
- SimpleBox()
: BALL::VIEW::SimpleBox
- simpleCanBeAromatic_()
: BALL::AromaticityProcessor
- simpleCanBeAromaticWeaker_()
: BALL::AromaticityProcessor
- SimpleDownloader()
: BALL::SimpleDownloader
- SimpleExperiment1D()
: BALL::SimpleExperiment1D
- simulate()
: BALL::MolecularDynamics
- simulateIterations()
: BALL::MolecularDynamics
, BALL::CanonicalMD
, BALL::MicroCanonicalMD
- simulateTime()
: BALL::MolecularDynamics
- simulation_icon_
: BALL::VIEW::MainControl
- simulation_running_xpm_
: BALL::VIEW::MainControl
- simulation_stoped_xpm_
: BALL::VIEW::MainControl
- simulation_thread_
: BALL::VIEW::MainControl
- SimulationThread
: BALL::VIEW::MainControl
, BALL::VIEW::SimulationThread
- SINGLE
: BALL::SmartsParser::SPBond
- SINGLE__CHI
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- SINGLE__DISCRETE
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- SINGLE__REAL
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- SINGLE_BOND
: BALL::GAFFCESParser::APSMatcher
- SINGLE_BOND_TO_PARENT
: BALL::GAFFCESParser::APSMatcher
- SINGLE_DOWN
: BALL::SmartsParser::SPBond
- SINGLE_DOWN_OR_ANY
: BALL::SmartsParser::SPBond
- SINGLE_OR_AROMATIC
: BALL::SmartsParser::SPBond
- single_pick_
: BALL::VIEW::GLRenderer
- SINGLE_UP
: BALL::SmartsParser::SPBond
- SINGLE_UP_OR_ANY
: BALL::SmartsParser::SPBond
- SingleAmberTorsion()
: BALL::AmberTorsion::SingleAmberTorsion
- SingleCharmmTorsion()
: BALL::CharmmTorsion::SingleCharmmTorsion
- SingleValues()
: BALL::CosineTorsion::SingleValues
- singular_
: BALL::RSEdge
, BALL::RSFace
- singular_edges_
: BALL::SolventExcludedSurface
- SingularEdgeIterator
: BALL::SolventExcludedSurface
- SingularIterator()
: BALL::Exception::SingularIterator
- SingularMatrixError()
: BALL::QSAR::Exception::SingularMatrixError
- Site
: BALL::Enumerator< Container, SiteIterator, Variant >
- site_records
: BALL::PDB::BookKeeping
- SiteList
: BALL::Enumerator< Container, SiteIterator, Variant >
- size()
: BALL::HashSet< Key >
, BALL::TRegularData1D< ValueType >
, BALL::ConformationSet
, BALL::TRegularData2D< ValueType >
, BALL::HashMap< Key, T >
, BALL::TRegularData3D< ValueType >
, BALL::Substring
, BALL::PDBRecords
, BALL::VIEW::ShortcutRegistry
- size_
: BALL::Exception::OutOfMemory
, BALL::TRegularData3D< ValueType >
, BALL::HashSet< Key >
, BALL::Exception::IndexOverflow
, BALL::Exception::IndexUnderflow
, BALL::Exception::SizeUnderflow
, BALL::BitVector
, BALL::Exception::InvalidSize
, BALL::TRegularData2D< ValueType >
- size_type
: BALL::HashSet< Key >
, BALL::VIEW::CompositeManager
, BALL::TRegularData1D< ValueType >
, BALL::TRegularData2D< ValueType >
, BALL::TRegularData3D< ValueType >
, BALL::PDBRecords
- sizeHint()
: BALL::VIEW::DockableRegularData1DWidget
, BALL::VIEW::DockableRegularData2DWidget
, BALL::VIEW::SDWidget
, BALL::VIEW::ColorButton
, BALL::VIEW::TextEditorWidget::LineNumbers
- SizeOfSSSR()
: BALL::SizeOfSSSR
- sizes_
: BALL::VIEW::IconLoader
- SizeType
: BALL::PDBRecords
- SizeUnderflow()
: BALL::Exception::SizeUnderflow
- SizeVector
: BALL::UCK
- skipCurrentRecord()
: BALL::PDBFile
- skipLines()
: BALL::LineBasedFile
- skipped_records_
: BALL::PDBInfo
- skipWhitespaces_()
: BALL::ResourceFile
- sl_keys_
: BALL::VIEW::ComboBoxDelegate
- sl_modifier_
: BALL::VIEW::ComboBoxDelegate
- SLATER_KIRKWOOD_FORMAT
: BALL::LennardJones
- SLAVE_PATH
: BALL::GeometricFit::Default
, BALL::GeometricFit::Option
- slices
: BALL::VIEW::GridVisualisation
- SLICES
: BALL::VIEW::GridVisualisation
- SLICKEnergy()
: BALL::SLICKEnergy
- SLICKScore()
: BALL::SLICKScore
- sliderDragEnded_()
: BALL::VIEW::SnapshotVisualisationDialog
- sliderDragStarted_()
: BALL::VIEW::SnapshotVisualisationDialog
- sliderMovedToPos()
: BALL::VIEW::SnapshotVisualisationDialog
- slides_
: BALL::VIEW::AddBackboneModel
- slides_angle_
: BALL::VIEW::AddBackboneModel
- slotDownload()
: BALL::VIEW::DownloadElectronDensity
, BALL::VIEW::DownloadPDBFile
- Sm
: BALL::Element
- smallX
: BALL::VIEW::VRMLRenderer
- smallY
: BALL::VIEW::VRMLRenderer
- smallZ
: BALL::VIEW::VRMLRenderer
- SMART_MATCHING
: BALL::HybridisationProcessor::Method
- SMART_OBJECT
: BALL::NamedProperty
- smart_pointer_list_
: BALL::PersistenceManager
- SmartPointerList
: BALL::PersistenceManager
- smarts_edit_
: BALL::VIEW::MolecularControl
- SmartsMatcher()
: BALL::SmartsMatcher
- SmartsParser()
: BALL::SmartsParser
- SMARTSPredicate()
: BALL::SMARTSPredicate
- smiles
: BALL::VIEW::PubChemDialog::ParsedResult_
- smiles_parser_
: BALL::VIEW::PubChemDialog
- SmilesParser()
: BALL::SmilesParser
- smooth_lines_
: BALL::VIEW::GLRenderer
- smoothCFSAngle_()
: BALL::SDGenerator
- Sn
: BALL::Element
- snap_shot_manager_
: BALL::VIEW::SnapshotVisualisationDialog
- SnapShot()
: BALL::SnapShot
- snapshot_
: BALL::EnergyMinimizer
- snapshot_buffer_
: BALL::SnapShotManager
- SNAPSHOT_FREQUENCY
: BALL::MolecularDynamics::Option
, BALL::MolecularDynamics::Default
, BALL::EnergyMinimizer::Option
, BALL::EnergyMinimizer::Default
- snapshot_frequency_
: BALL::MolecularDynamics
, BALL::EnergyMinimizer
- snapshot_interface_
: BALL::VIEW::UndoManagerDialog
- snapshot_manager_ptr_
: BALL::MolecularDynamics
- snapshot_order_
: BALL::ConformationSet
, BALL::DockResult::Scoring_
- snapShotInputTest()
: BALL::VIEW::SnapshotVisualisationDialog
- SnapShotManager()
: BALL::SnapShotManager
- SnapshotManagerInterface()
: BALL::VIEW::SnapshotManagerInterface
- SnapshotVisualisationDialog()
: BALL::VIEW::SnapshotVisualisationDialog
- SNBModel()
: BALL::QSAR::SNBModel
- SODIUM
: BALL::Element
- soffsetf1_
: BALL::Bruker2DFile
- soffsetf2_
: BALL::Bruker2DFile
- softening_limit_
: BALL::VanDerWaals
- SOLUTE_DC
: BALL::FDPB::Default
, BALL::FDPB::Option
- Solution
: BALL::AssignBondOrderProcessor
- Solution_()
: BALL::AssignBondOrderProcessor::Solution_
- solution_number_
: BALL::VIEW::AssignBondOrderResultsDialog
- solution_systems_
: BALL::VIEW::AssignBondOrderResultsDialog
- solutions_
: BALL::AssignBondOrderProcessor
, BALL::Kekuliser
- solvation_
: BALL::CharmmNonBonded
- SOLVATION_CUTOFF
: BALL::CharmmFF::Option
, BALL::CharmmFF::Default
- SOLVATION_CUTON
: BALL::CharmmFF::Default
, BALL::CharmmFF::Option
- solvation_energy_
: BALL::CharmmNonBonded
- solvation_parameters_
: BALL::CharmmNonBonded
- solve()
: BALL::FDPB
- solvent_
: BALL::Pair6_12InteractionEnergyProcessor
, BALL::PairExpInteractionEnergyProcessor
- SOLVENT_ACCESSIBLE_SURFACE
: BALL::SurfaceProcessor
- solvent_atoms_
: BALL::SolventParameter
, BALL::SolventDescriptor
- SOLVENT_DC
: BALL::FDPB::Option
, BALL::FDPB::Default
- solvent_descriptor_
: BALL::SolventParameter
- SOLVENT_DESCRIPTOR_FILE
: BALL::NonpolarSolvation::Option
, BALL::NonpolarSolvation::Default
- SOLVENT_EXCLUDED_SURFACE
: BALL::SurfaceProcessor
- SOLVENT_FILENAME
: BALL::Pair6_12InteractionEnergyProcessor::Default
, BALL::PairExpInteractionEnergyProcessor::Default
, BALL::PairExpInteractionEnergyProcessor::Option
, BALL::Pair6_12InteractionEnergyProcessor::Option
- SOLVENT_NUMBER_DENSITY
: BALL::NonpolarSolvation::Default
, BALL::PCMCavFreeEnergyProcessor::Default
, BALL::PierottiCavFreeEnergyProcessor::Option
, BALL::PierottiCavFreeEnergyProcessor::Default
, BALL::ReissCavFreeEnergyProcessor::Default
, BALL::ReissCavFreeEnergyProcessor::Option
, BALL::NonpolarSolvation::Option
, BALL::Pair6_12InteractionEnergyProcessor::Option
, BALL::Pair6_12InteractionEnergyProcessor::Default
, BALL::PCMCavFreeEnergyProcessor::Option
- solvent_number_density_
: BALL::NonpolarSolvation
- SolventAccessibleSurface
: BALL::RSFace
, BALL::SASEdge
, BALL::SASVertex
, BALL::SASFace
, BALL::SolventAccessibleSurface
, BALL::RSVertex
, BALL::RSEdge
, BALL::ReducedSurface
- SolventAtomDescriptor()
: BALL::SolventAtomDescriptor
- SolventDescriptor()
: BALL::SolventDescriptor
- SolventExcludedSurface
: BALL::ReducedSurface
, BALL::SESEdge
, BALL::SESVertex
, BALL::SolventExcludedSurface
, BALL::SESFace
, BALL::RSVertex
, BALL::RSEdge
, BALL::RSFace
- SolventParameter()
: BALL::SolventParameter
- sort()
: BALL::ResidueRotamerSet
, BALL::SESSingularityCleaner
, BALL::RotamerLibrary
- sortBy()
: BALL::DockResult
- sorted_by_
: BALL::DockResult
- sorted_spheres_
: BALL::BindingPocketProcessor
- SortedPosition2()
: BALL::SortedPosition2
- SortedPosition3()
: BALL::SortedPosition3
- sortSelectedAtomVector_()
: BALL::ForceField
- sortTable()
: BALL::VIEW::DockResultDialog
- source_
: BALL::EdgeItem< Node, Edge >
- sources
: BALL::PDB::RecordSOURCE
- SP
: BALL::SmilesParser
- sp_atom_
: BALL::SmartsParser::SPNode
- space_group
: BALL::PDB::RecordCRYST1::UnitCell
, BALL::PDB::Structure::UnitCellInfo
- space_group_
: BALL::CCP4File
, BALL::CrystalInfo
- SPACE_GROUP_FILE
: BALL::CrystalInfo::Option
, BALL::CrystalInfo::Default
- SPACING
: BALL::FDPB::Default
, BALL::FDPB::Option
- spacing_
: BALL::TContourSurface< T >::Cube
, BALL::TRegularData2D< ValueType >
, BALL::ShiftModel1D
, BALL::FDPB
, BALL::TRegularData3D< ValueType >
, BALL::PolarSolvation
, BALL::ShiftModel2D
, BALL::Spectrum< DataT, PeakT, PositionT >
, BALL::TRegularData1D< ValueType >
- SPAtom
: BALL::SmartsMatcher
, BALL::SmartsParser::SPAtom
, BALL::SmilesParser::SPAtom
, BALL::SmartsParser::SPAtom
- SPBond()
: BALL::SmartsParser::SPBond
, BALL::SmilesParser::SPBond
, BALL::SmartsMatcher
, BALL::SmartsParser::SPBond
- SPBondOrder
: BALL::SmartsParser::SPBond
- special_characters_
: BALL::NMRStarFile
- special_radius_
: BALL::VIEW::AddBallAndStickModel
- specific_model_ID
: BALL::PDB::RecordCISPEP
- specificSetup()
: BALL::ForceField
, BALL::CanonicalMD
, BALL::ConjugateGradientMinimizer
, BALL::StrangLBFGSMinimizer
, BALL::SLICKScore
, BALL::SLICKEnergy
, BALL::SteepestDescentMinimizer
, BALL::MolecularDynamics
, BALL::EnergyMinimizer
, BALL::AmberFF
, BALL::CharmmFF
, BALL::ShiftedLVMMMinimizer
, BALL::ScoringFunction
, BALL::MicroCanonicalMD
, BALL::MMFF94
- specificSetup_()
: BALL::PluginHandler
, BALL::VIEW::InputDevPluginHandler
, BALL::AtomTyper
- specificShutdown_()
: BALL::PluginHandler
, BALL::VIEW::InputDevPluginHandler
- Spectrum()
: BALL::Spectrum< DataT, PeakT, PositionT >
- spectrum_
: BALL::Bruker1DFile
, BALL::Bruker2DFile
- SPECTRUM_TYPE
: BALL::ShiftModel2D
, BALL::ShiftModel1D
- specular_
: BALL::VIEW::Stage
- specular_color
: BALL::VIEW::Stage::RaytracingMaterial
- specular_intensity
: BALL::VIEW::Stage::RaytracingMaterial
- specularityFactorChanged()
: BALL::VIEW::MaterialSettings
- SPEdge
: BALL::SmartsMatcher
, BALL::SmartsParser::SPEdge
- SPEED_OF_LIGHT
: BALL::Constant
- Sphere()
: BALL::VIEW::Sphere
- Sphere_()
: BALL::BindingPocketProcessor::Sphere_
- sphere_
: BALL::SASFace
- sphere_grid_
: BALL::BindingPocketProcessor
- sphere_list_
: BALL::VIEW::GLRenderer
- sphere_rad_
: BALL::BindingPocketProcessor
- spheres_
: BALL::SurfaceProcessor
- spheric_faces_
: BALL::SolventExcludedSurface
- SphericFaceIterator
: BALL::SolventExcludedSurface
- SPIRO
: BALL::RingAnalyser
- splice()
: BALL::SecondaryStructure
, BALL::Composite
, BALL::Molecule
, BALL::Nucleotide
, BALL::Residue
, BALL::System
, BALL::SecondaryStructure
, BALL::Nucleotide
, BALL::Residue
, BALL::Chain
, BALL::AtomContainer
- spliceAfter()
: BALL::Composite
, BALL::Chain
, BALL::Molecule
, BALL::Residue
, BALL::SecondaryStructure
, BALL::Nucleotide
, BALL::System
, BALL::Nucleotide
, BALL::Residue
, BALL::Chain
, BALL::AtomContainer
- spliceBefore()
: BALL::Composite
, BALL::Molecule
, BALL::SecondaryStructure
, BALL::System
, BALL::AtomContainer
, BALL::Residue
, BALL::Nucleotide
, BALL::Chain
, BALL::Residue
, BALL::Chain
, BALL::Nucleotide
- splines_
: BALL::CubicSpline2D
- split()
: BALL::String
, BALL::VIEW::ExportGeometryDialog
, BALL::String
- split_
: BALL::VIEW::ExportGeometryDialog
- splitIntoMolecules()
: BALL::ConnectedComponentsProcessor
- splitMethodChanged()
: BALL::VIEW::ModifyRepresentationDialog
- splitQuoted()
: BALL::String
- splitSphericFace()
: BALL::SolventExcludedSurface
- splitSphericFaces()
: BALL::SolventExcludedSurface
- SPNode()
: BALL::SmartsParser::SPNode
, BALL::SmartsMatcher
- spointnumf1_
: BALL::Bruker2DFile
- spointnumf2_
: BALL::Bruker2DFile
- sq()
: BALL::QSAR::Statistics
- sqrt2Pi_
: BALL::QSAR::SNBModel
- sqrt_density_
: BALL::SESTriangulator
, BALL::SASTriangulator
- square_distance_
: BALL::VIEW::ModifyRepresentationDialog
- SQUARE_ROOT
: BALL::ShiftedLVMMMinimizer
- squared_distance_
: BALL::FragmentDistanceCollector
- squared_distances_
: BALL::GeneralizedBornModel
- SquareFunction()
: BALL::SquareFunction< Function, DataType >
- Sr
: BALL::Element
- ss_
: BALL::VIEW::AddBackboneModel
- ssbond_correction_
: BALL::EmpiricalHSShiftProcessor
- ssbond_list_
: BALL::PDBFile
- ssbonds
: BALL::PDB::Structure
- ssE_
: BALL::QSAR::RegressionValidation
- sslErrors()
: BALL::SimpleDownloaderHelper::BasicHelper
- ssR_
: BALL::QSAR::RegressionValidation
- sssr_
: BALL::GAFFTypeProcessor
, BALL::SmartsMatcher
, BALL::SmartsParser
- ssY_
: BALL::QSAR::RegressionValidation
- stack_capacity_
: BALL::ResourceEntry::IteratorTraits_
- stack_index_
: BALL::ResourceEntry::IteratorTraits_
- stack_pages_
: BALL::VIEW::PreferencesEntry
- stack_size_
: BALL::ResourceEntry::IteratorTraits_
- StackPages
: BALL::VIEW::PreferencesEntry
- Stage()
: BALL::VIEW::Stage
- stage_
: BALL::VIEW::SceneMessage
, BALL::VIEW::StageSettings
, BALL::VIEW::RenderSetup
, BALL::VIEW::LightSettings
, BALL::VIEW::Renderer
, BALL::VIEW::Scene
- stage_settings_
: BALL::VIEW::Scene
- StageSettings()
: BALL::VIEW::StageSettings
- stamp()
: BALL::TimeStamp
, BALL::Composite
- StampType
: BALL::Composite
- standard_bond_exists
: BALL::MMFF94StretchParameters::BondData
- STANDARD_BOND_LENGTH
: BALL::SDGenerator::Default
, BALL::SDGenerator::Option
- standard_occupancy_deviation
: BALL::PDB::RecordSIGATM
- standard_residue_name
: BALL::PDB::RecordMODRES
- standard_temperature_deviation
: BALL::PDB::RecordSIGATM
- standard_vector_deviation
: BALL::PDB::RecordSIGATM
- standardized_moments
: BALL::Spectrum< DataT, PeakT, PositionT >
- standards_
: BALL::FragmentDB
- STANNUM
: BALL::Element
- start()
: BALL::ReconstructFragmentProcessor
, BALL::Timer
, BALL::VIEW::InterpolateColorProcessor
, BALL::BinaryProcessor< T1, T2 >
, BALL::ShiftModel2D
, BALL::RingAnalyser
, BALL::HBondShiftProcessor
, BALL::AssignBondOrderProcessor
, BALL::FragmentDB::BuildBondsProcessor
, BALL::DockingAlgorithm
, BALL::CIFFile::SaveFrame
, BALL::FragmentDB::NormalizeNamesProcessor
, BALL::RuleProcessor
, BALL::ConnectedComponentsProcessor
, BALL::CIFFile::Datablock
, BALL::SimpleExperiment1D
, BALL::EFShiftProcessor
, BALL::CreateSpectrumProcessor
, BALL::EnergyProcessor
, BALL::JohnsonBoveyShiftProcessor
, BALL::MMFF94ChargeProcessor
, BALL::BuildBondsProcessor
, BALL::HaighMallionShiftProcessor
, BALL::AromaticityProcessor
, BALL::ShiftModel1D
, BALL::EmpiricalHSShiftProcessor
, BALL::AddHydrogenProcessor
, BALL::GeometricFit
, BALL::AssignRadiusProcessor
, BALL::ShiftModule
, BALL::VIEW::FileObserver
, BALL::VIEW::ResidueNumberColorProcessor
, BALL::ShiftModel
, BALL::Selector
, BALL::VIEW::PositionColorProcessor
, BALL::SurfaceProcessor
, BALL::BoundingBoxProcessor
, BALL::VIEW::AddBackboneModel
, BALL::VIEW::ColorProcessor
, BALL::ResidueChecker
, BALL::VIEW::ColorByGridProcessor
, BALL::SideChainPlacementProcessor
, BALL::FragmentDistanceCollector
, BALL::HybridisationProcessor
, BALL::UnaryProcessor< T >
, BALL::HBondProcessor
, BALL::AssignChargeProcessor
, BALL::GeometricCenterProcessor
- start_
: BALL::TContour< T >
, BALL::DSN6File
, BALL::CCP4File
- start_action_
: BALL::VIEW::FileObserver
- start_animation_action_
: BALL::VIEW::Scene
- start_log_
: BALL::PyInterpreter
- start_recording
: BALL::VIEW::TestFramework
- start_time_
: BALL::VIEW::DockProgressDialog
- startAccepting()
: BALL::TCPServer
- startAnimation()
: BALL::VIEW::Scene
- startChildPredicates()
: BALL::GAFFCESParser
- startDefinition()
: BALL::VIEW::GLDisplayList
- startDocking()
: BALL::VIEW::DockingController
- startDriver()
: BALL::VIEW::InputPlugin
- started_startup_script_
: BALL::VIEW::PyWidget
- STARTED_UPDATE
: BALL::VIEW::RepresentationMessage
- startEditorDialog()
: BALL::VIEW::PDBInfoEditorWidget
- starting_configuration_
: BALL::AssignBondOrderProcessor
- startInterpreter()
: BALL::VIEW::PyWidget
- startLoop()
: BALL::CIFFile::Item
- startOutput()
: BALL::PersistenceManager
- startPlugin()
: BALL::PluginManager
, BALL::PluginHandler
, BALL::PluginManager
- startRecording_()
: BALL::VIEW::EditSingleShortcut
- startRendering()
: BALL::VIEW::RepresentationManager
, BALL::VIEW::RenderSetup
- startsWith()
: BALL::LineBasedFile
- startTest()
: BALL::VIEW::TestFramework
- startup_script_
: BALL::VIEW::PyWidget
- state
: BALL::GAFFCESParser
, BALL::VIEW::RunPythonThread
, BALL::SmartsParser
, BALL::GAMESSDatFile
, BALL::ExpressionParser
, BALL::CIFFile
, BALL::SmilesParser
, BALL::GAMESSLogFile
- state_
: BALL::VIEW::GeometricObjectSelectionMessage
- static_members
: BALL::MOL2File::SetStruct
- statistic
: BALL::QSAR::ValidationConfiguration
, BALL::QSAR::PredictionConfiguration
, BALL::QSAR::FeatureSelectionConfiguration
- statistic_name
: BALL::QSAR::FeatureSelectionConfiguration
, BALL::QSAR::PredictionConfiguration
, BALL::QSAR::ValidationConfiguration
- Statistics()
: BALL::QSAR::Statistics
- status
: BALL::RSComputer::ProbePosition
, BALL::MOL2File::SetStruct
- status_
: BALL::ResidueChecker
- STATUS_INSIDE
: BALL::RSComputer
- STATUS_NOT_OK
: BALL::RSComputer
- STATUS_NOT_TESTED
: BALL::RSComputer
- STATUS_OK
: BALL::RSComputer
- STATUS_ON_SURFACE
: BALL::RSComputer
- STATUS_UNKNOWN
: BALL::RSComputer
- std_err_
: BALL::QSAR::RegressionValidation
- stddev_
: BALL::QSAR::SNBModel
- SteepestDescentMinimizer()
: BALL::SteepestDescentMinimizer
- step_
: BALL::AssignBondOrderProcessor
, BALL::EnergyMinimizer
- step_number_of_starting_time_
: BALL::DCDFile
- step_width_
: BALL::RotamerLibrary
- stepFourier_
: BALL::TFFT1D< ComplexTraits >
- stepFourierX_
: BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
- stepFourierY_
: BALL::TFFT3D< ComplexTraits >
, BALL::TFFT2D< ComplexTraits >
- stepFourierZ_
: BALL::TFFT3D< ComplexTraits >
- stepPhys_
: BALL::TFFT1D< ComplexTraits >
- stepPhysX_
: BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
- stepPhysY_
: BALL::TFFT2D< ComplexTraits >
, BALL::TFFT3D< ComplexTraits >
- stepPhysZ_
: BALL::TFFT3D< ComplexTraits >
- steps_
: BALL::VIEW::RaytraceableContourSurfaceDialog
, BALL::VIEW::MDSimulationThread
- steps_between_saves_
: BALL::DCDFile
- steps_between_updates_
: BALL::VIEW::SimulationThread
- stepwiseSelection()
: BALL::QSAR::FeatureSelection
- stereo
: BALL::MOLFile::BondStruct
- stereo_
: BALL::VIEW::GLRenderer
- stereo_camera_
: BALL::VIEW::Scene
- stereo_care_box
: BALL::MOLFile::AtomStruct
- stereo_left_eye_
: BALL::VIEW::Scene
- stereo_right_eye_
: BALL::VIEW::Scene
- STEREO_SETUP
: BALL::VIEW::RenderSetup
- stereo_setup_
: BALL::VIEW::RenderSetup
- stereoBufferSupportTest()
: BALL::VIEW::Scene
- StereoMode
: BALL::VIEW::GLRenderer
- StereoSettingsDialog()
: BALL::VIEW::StereoSettingsDialog
- STIBIUM
: BALL::Element
- stick_radius_
: BALL::VIEW::AddBallAndStickModel
- stickRadiusChanged()
: BALL::VIEW::ModelSettingsDialog
- sticks_
: BALL::Spectrum< DataT, PeakT, PositionT >
- still_to_notify_
: BALL::VIEW::RepresentationManager
- stl_
: BALL::VIEW::ExportGeometryDialog
- STLRenderer()
: BALL::VIEW::STLRenderer
- stop()
: BALL::VIEW::FileObserver
, BALL::Timer
- stop_()
: BALL::VIEW::SnapshotVisualisationDialog
- stop_action_
: BALL::VIEW::FileObserver
- stop_animation_
: BALL::VIEW::Scene
- stop_recording
: BALL::VIEW::TestFramework
- stop_script_
: BALL::VIEW::PyWidget
- stop_simulation_
: BALL::VIEW::MainControl
- stop_simulation_action_
: BALL::VIEW::MainControl
- stopAnimation()
: BALL::VIEW::Scene
- stopedSimulation()
: BALL::VIEW::MainControl
- stopedSimulation_()
: BALL::VIEW::MainControl
- stopPlugin()
: BALL::PluginManager
, BALL::PluginHandler
, BALL::PluginManager
- stopRecording_()
: BALL::VIEW::EditSingleShortcut
- stopSimulation()
: BALL::VIEW::MainControl
- stopTest()
: BALL::VIEW::TestFramework
- STORE_SKIPPED_RECORDS
: BALL::PDBFile::Option
, BALL::PDBFile::Default
- store_skipped_records_
: BALL::PDBFile
- storeColor_()
: BALL::VIEW::POVRenderer
- storeConnections_()
: BALL::FragmentDB::BuildBondsProcessor
- stored_camera_
: BALL::VIEW::Scene
- stored_s_
: BALL::StrangLBFGSMinimizer
- stored_y_
: BALL::StrangLBFGSMinimizer
- storeEvent()
: BALL::VIEW::TestFramework
- storeGradientEnergy()
: BALL::EnergyMinimizer
- storeOriginalConfiguration_()
: BALL::AssignBondOrderProcessor
- storeRepresentations()
: BALL::VIEW::RepresentationManager
- storeScript_()
: BALL::VIEW::PyWidget
- storeValues()
: BALL::VIEW::OpenSavePreferences
, BALL::VIEW::PreferencesEntry
- storeViewPoint()
: BALL::VIEW::Scene
- stptol_
: BALL::LineSearch
- STRAND
: BALL::SecondaryStructure
, BALL::VIEW::AddCartoonModel
- strand_color_
: BALL::VIEW::SecondaryStructureColorProcessor
- strand_height_
: BALL::VIEW::AddCartoonModel
- strand_number
: BALL::PDB::RecordSHEET
- strand_width_
: BALL::VIEW::AddCartoonModel
- StrangLBFGSMinimizer()
: BALL::StrangLBFGSMinimizer
- stream
: BALL::LogStreamBuf::StreamStruct
- stream_
: BALL::LogStreamNotifier
- STREAM_HEADER
: BALL::XDRPersistenceManager
- stream_list_
: BALL::LogStreamBuf
- STREAM_TRAILER
: BALL::XDRPersistenceManager
- StreamIterator
: BALL::LogStream
- streams_handled_externally_
: BALL::XDRPersistenceManager
- StreamStruct()
: BALL::LogStreamBuf::StreamStruct
- stretch_
: BALL::StretchComponent
- stretch_bend_energy_
: BALL::MMFF94StretchBend
- stretch_bends_
: BALL::MMFF94StretchBend
- stretch_enabled_
: BALL::MMFF94StretchBend
- stretch_energy_
: BALL::MMFF94StretchBend
- stretch_i_j
: BALL::MMFF94StretchBend::StretchBend
- stretch_j_k
: BALL::MMFF94StretchBend::StretchBend
- stretch_parameters_
: BALL::MMFF94StretchBend
, BALL::StretchComponent
- stretchbend_enabled_
: BALL::MMFF94StretchBend
- StretchBendMap
: BALL::MMFF94StretchBendParameters
- StretchComponent()
: BALL::StretchComponent
- stretches_
: BALL::MMFF94StretchBend
- StretchMap
: BALL::MMFF94StretchParameters
- STRICT_LINE_CHECKING
: BALL::PDBFile::Default
, BALL::PDBFile::Option
- strict_line_checking_
: BALL::PDBFile
- String()
: BALL::String
, BALL::Substring
, BALL::String
- STRING
: BALL::NamedProperty
- String()
: BALL::String
- STRING
: BALL::JCAMPFile
- String()
: BALL::String
- string
: BALL::PDB::RecordTypeFormat
- String()
: BALL::String
- string_format
: BALL::VIEW::PythonHighlighter
- string_pattern
: BALL::VIEW::PythonHighlighter
- string_value
: BALL::JCAMPFile::JCAMPValue
- StringEditorWidget()
: BALL::VIEW::StringEditorWidget
- StringHashMap()
: BALL::StringHashMap< Value >
- stringToHSV_()
: BALL::VIEW::ColorHSV
- stringToRGBA_()
: BALL::VIEW::ColorRGBA
- stringToWildcard_
: BALL::GAFFCESParser::CESPredicate
- STRONGLY_OVERLAPPING_ATOMS
: BALL::ResidueChecker
- STRONTIUM
: BALL::Element
- STRUCTURE_BASED
: BALL::HybridisationProcessor::Method
- StructureMapper()
: BALL::StructureMapper
- structures_
: BALL::ConformationSet
- sub_type
: BALL::MOL2File::SubstructureStruct
, BALL::MOL2File::SetStruct
- subdivideTriangle_()
: BALL::VIEW::GLRenderer
- subject_length
: BALL::NMRStarFile::MonomericPolymer::HomologDB
- submission_date
: BALL::NMRStarFile::EntryInformation
- substance_names_
: BALL::ML::MLData
, BALL::QSAR::Model
, BALL::QSAR::QSARData
- substances_names_
: BALL::QSAR::Validation
- substitute()
: BALL::String
, BALL::GraphFace< Vertex, Edge, Face >
, BALL::GraphEdge< Vertex, Edge, Face >
, BALL::GraphVertex< Vertex, Edge, Face >
, BALL::GraphTriangle< Vertex, Edge, Face >
, BALL::GraphEdge< Vertex, Edge, Face >
- Substring()
: BALL::Substring
, BALL::String
- substructure
: BALL::MOL2File::AtomStruct
- substructure_name
: BALL::MOL2File::AtomStruct
- substructure_type
: BALL::MOL2File::SubstructureStruct
- substructures_
: BALL::MOL2File
- Subtraction()
: BALL::Subtraction< First, Second, DataType >
- successor()
: BALL::RingAnalyser::Ring
- suffix_
: BALL::VIEW::DownloadPDBFile
- SULFUR
: BALL::Element
- SULPHUR
: BALL::Element
- summary_
: BALL::SecondaryStructureProcessor
- supports()
: BALL::VIEW::BufferedRenderer
- supportsNamingScheme()
: BALL::Peptides::NameConverter
- supportsPseudoAtomNamingScheme()
: BALL::Peptides::NameConverter
- surface_
: BALL::SurfaceProcessor
, BALL::VIEW::DemoTutorialDialog
, BALL::NumericalSAS
- SURFACE__EXTERNAL
: BALL::Pair6_12InteractionEnergyProcessor
, BALL::PairExpInteractionEnergyProcessor
- SURFACE__SAS
: BALL::PairExpInteractionEnergyProcessor
, BALL::Pair6_12InteractionEnergyProcessor
- SURFACE__SES
: BALL::PairExpInteractionEnergyProcessor
, BALL::Pair6_12InteractionEnergyProcessor
- SURFACE__UNKNOWN
: BALL::PairExpInteractionEnergyProcessor
, BALL::Pair6_12InteractionEnergyProcessor
- surface_drawing_precision_
: BALL::VIEW::ModelProcessor
, BALL::VIEW::Representation
- SURFACE_FILENAME
: BALL::Pair6_12InteractionEnergyProcessor::Option
, BALL::Pair6_12InteractionEnergyProcessor::Default
, BALL::PairExpInteractionEnergyProcessor::Default
, BALL::PairExpInteractionEnergyProcessor::Option
- SURFACE_TENSION
: BALL::NonpolarSolvation::Default
, BALL::UhligCavFreeEnergyProcessor::Option
, BALL::UhligCavFreeEnergyProcessor::Default
, BALL::NonpolarSolvation::Option
- surface_tension_
: BALL::NonpolarSolvation
- SURFACE_THICKNESS
: BALL::GeometricFit::Option
, BALL::GeometricFit::Default
- SURFACE_TYPE
: BALL::Pair6_12InteractionEnergyProcessor::Default
, BALL::GeometricFit::Default
, BALL::Pair6_12InteractionEnergyProcessor::Option
, BALL::PairExpInteractionEnergyProcessor::Default
, BALL::GeometricFit::Option
, BALL::PairExpInteractionEnergyProcessor::Option
- surface_type_
: BALL::SurfaceProcessor
- SurfaceBase()
: BALL::SurfaceBase
- SurfaceProcessor()
: BALL::SurfaceProcessor
- SurfaceType
: BALL::Pair6_12InteractionEnergyProcessor
, BALL::SurfaceProcessor
, BALL::GeometricFit
, BALL::PairExpInteractionEnergyProcessor
- SUSPECT_BOND_LENGTHS
: BALL::ResidueChecker
- SV
: BALL::QSAR::LibsvmModel::svm_model
- sv_coef
: BALL::QSAR::LibsvmModel::svm_model
- svm_train_result_
: BALL::QSAR::LibsvmModel
- SVMModel()
: BALL::QSAR::SVMModel
- SVRModel()
: BALL::QSAR::SVRModel
- swap()
: BALL::BaseIterator< Container, DataType, Position, Traits >
, BALL::HashSet< Key >
, BALL::ConstForwardFilterIterator< Predicate, IteratorForward >
, BALL::ForwardIterator< Container, DataType, Position, Traits >
, BALL::VIEW::Label
, BALL::TSphere3< T >
, BALL::VIEW::Disc
, BALL::VIEW::Tube
, BALL::TLine3< T >
, BALL::PDBRecords
, BALL::Nucleotide
, BALL::VIEW::TwoColoredTube
, BALL::TSimpleBox3< T >
, BALL::VIEW::ColorUnitHue
, BALL::TVector4< T >
, BALL::Protein
, BALL::Selectable
, BALL::BaseFilterIterator< Predicate, IteratorBase >
, BALL::TPlane3< T >
, BALL::PropertyManager
, BALL::StringHashMap< Value >
, BALL::TAngle< T >
, BALL::Molecule
, BALL::VIEW::TwoColoredLine
, BALL::VIEW::ColorExtension2
, BALL::Atom
, BALL::VIEW::ColorHSV
, BALL::Bond
, BALL::TVector3< T >
, BALL::NucleicAcid
, BALL::VIEW::Vertex2
, BALL::VIEW::Sphere
, BALL::List< Value >
, BALL::TCircle3< T >
, BALL::VIEW::GeometricObject
, BALL::TMatrix4x4< T >
, BALL::TRegularData2D< ValueType >
, BALL::VIEW::Vertex
, BALL::Composite
, BALL::BaseIterator< Container, DataType, Position, Traits >
, BALL::Residue
, BALL::VIEW::ColorUnit
, BALL::VIEW::ColorRGBA
, BALL::ForwardFilterIterator< Predicate, IteratorForward >
, BALL::String
, BALL::ConstForwardIterator< Container, DataType, Position, Traits >
, BALL::ForwardIterator< Container, DataType, Position, Traits >
, BALL::VIEW::Mesh
, BALL::TRegularData3D< ValueType >
, BALL::TBox3< T >
, BALL::VIEW::MultiColorExtension
, BALL::VIEW::Line
, BALL::AtomContainer
, BALL::TQuaternion< T >
, BALL::TRegularData1D< ValueType >
, BALL::VIEW::Point
, BALL::PDBAtom
, BALL::Chain
, BALL::SecondaryStructure
, BALL::ConstForwardIterator< Container, DataType, Position, Traits >
- swap_bytes_
: BALL::DCDFile
, BALL::DSN6File
, BALL::CCP4File
- swap_endian_
: BALL::BinaryFileAdaptor< T >
- swap_side_by_side_stereo_
: BALL::VIEW::Stage
- swapLastBond_()
: BALL::Atom
- swapSideBySideStereo()
: BALL::VIEW::Stage
- swapValues_()
: BALL::VIEW::DockDialog
, BALL::VIEW::GeometricFitDialog
- swidthf1_
: BALL::Bruker2DFile
- swidthf2_
: BALL::Bruker2DFile
- switch_grid_
: BALL::VIEW::Scene
- switch_move
: BALL::VIEW::TestFramework
- switchRecordMove()
: BALL::VIEW::TestFramework
- switchShowGrid()
: BALL::VIEW::Scene
- switchShowSecondaryStructure()
: BALL::VIEW::MolecularControl
- switchShowWidget()
: BALL::VIEW::Scene
- switchString()
: BALL::LineBasedFile
- switchToLastMode()
: BALL::VIEW::Scene
- switchView()
: BALL::VIEW::AssignBondOrderResultsDialog
, BALL::VIEW::PubChemDialog
- sym_size
: BALL::TRRFile::TRRHeader
- symbol
: BALL::MOLFile::AtomStruct
- SYMBOL
: BALL::SmartsParser::SPAtom
- symbol
: BALL::PTE_::SymbolToElement
- Symbol
: BALL::Element
- symbol_
: BALL::Element
- symbol_to_element_
: BALL::PTE_
- symmetry_group_
: BALL::GAMESSDatFile
- symmetry_operator
: BALL::PDB::RecordSSBOND
- sync()
: BALL::LogStreamBuf
- SyncClippingPlanesMessage()
: BALL::VIEW::SyncClippingPlanesMessage
- synchronize_()
: BALL::Directory
- syntax_tree_
: BALL::ExpressionParser
- SyntaxTree()
: BALL::ExpressionParser::SyntaxTree
- sys_path_
: BALL::PyInterpreter
- system
: BALL::GAMESSLogFile
- System()
: BALL::System
- system1_
: BALL::DockingAlgorithm
- system2_
: BALL::DockingAlgorithm
- system_
: BALL::VIEW::SDWidget
, BALL::VIEW::FDPBDialog
, BALL::VIEW::DemoTutorialDialog
, BALL::ShiftModel2D
, BALL::SmilesParser
, BALL::SDGenerator
, BALL::RandomCoilShiftProcessor
, BALL::ForceField
, BALL::CrystalGenerator
, BALL::ShiftModel1D
, BALL::ConformationSet
- system_backup_a_
: BALL::GeometricFit
- system_backup_b_
: BALL::GeometricFit
- system_molecular_weight
: BALL::NMRStarFile::MolecularSystem
- system_name
: BALL::NMRStarFile::MolecularSystem
- system_oligomer_state
: BALL::NMRStarFile::MolecularSystem
- system_origin_
: BALL::VIEW::Scene
- system_paramagnetic
: BALL::NMRStarFile::MolecularSystem
- system_physical_state
: BALL::NMRStarFile::MolecularSystem
- system_ptr_
: BALL::SnapShotManager
, BALL::MolecularDynamics
- system_thiol_state
: BALL::NMRStarFile::MolecularSystem