- a
: BALL::PDB::RecordCRYST1::UnitCell
, BALL::PDB::Structure::UnitCellInfo
, BALL::BindingPocketProcessor::Sphere_
- A
: BALL::Potential1210::Values
- a
: BALL::SortedPosition2
, BALL::TSimpleBox3< T >
, BALL::SortedPosition3
- A
: BALL::LennardJones::Values
- a0
: BALL::Constant
- a1
: BALL::HybridisationProcessor::AtomNames_
- a2
: BALL::HybridisationProcessor::AtomNames_
- a3
: BALL::HybridisationProcessor::AtomNames_
- A_
: BALL::Pair6_12RDFIntegrator
, BALL::StructureMapper
- a_
: BALL::FermiBaseFunction
- A_
: BALL::LennardJones
, BALL::Potential1210
- a_i_
: BALL::ConjugateGradientMinimizer
- A_STAR
: BALL::AssignBondOrderProcessor::Algorithm
- abbreviation_common
: BALL::NMRStarFile::MolecularSystem
- abonds
: BALL::Kekuliser::AtomInfo
- abort_
: BALL::DockingAlgorithm
, BALL::VIEW::DockingFinishedMessage
- abort_by_energy_enabled_
: BALL::MolecularDynamics
, BALL::EnergyMinimizer
- abort_energy_
: BALL::MolecularDynamics
, BALL::EnergyMinimizer
- abort_test
: BALL::VIEW::TestFramework
- aborted_
: BALL::EnergyMinimizer
, BALL::VIEW::DownloadElectronDensity
, BALL::VIEW::DownloadPDBFile
- about_to_quit_
: BALL::VIEW::MainControl
- ABSOLUTE_TEMPERATURE
: BALL::NonpolarSolvation::Option
, BALL::NonpolarSolvation::Default
, BALL::PCMCavFreeEnergyProcessor::Option
, BALL::PCMCavFreeEnergyProcessor::Default
, BALL::PierottiCavFreeEnergyProcessor::Option
, BALL::PierottiCavFreeEnergyProcessor::Default
, BALL::ReissCavFreeEnergyProcessor::Option
, BALL::ReissCavFreeEnergyProcessor::Default
- absolute_temperature_
: BALL::NonpolarSolvation
- ac
: BALL::AssignBondOrderProcessor::Solution_
- ac_
: BALL::GeneralizedBornModel
, BALL::AssignBondOrderProcessor
, BALL::VIEW::FieldLineCreator
- acceptor_
: BALL::HBondProcessor::HBond
, BALL::TCPServer
- acceptor_occupied_
: BALL::HBondShiftProcessor
- acceptor_types_
: BALL::HBondShiftProcessor
- acceptors_
: BALL::HBondShiftProcessor
, BALL::HBondProcessor
- accession_code
: BALL::NMRStarFile::MonomericPolymer::HomologDB
, BALL::NMRStarFile::MolecularSystem::RelatedDB
- acidic_color_
: BALL::VIEW::ResidueTypeColorProcessor
- action
: BALL::VIEW::Hotkey
- action1_
: BALL::VIEW::PubChemDialog
- action2_
: BALL::VIEW::PubChemDialog
- action_
: BALL::VIEW::UndoManagerDialog
, BALL::VIEW::DockingController
, BALL::VIEW::TestFramework
- actions_
: BALL::VIEW::DatasetController
- actions_for_one_set_
: BALL::VIEW::DatasetController
- activated_item_
: BALL::VIEW::AssignBondOrderResultsDialog
- active_
: BALL::VIEW::ClippingPlane
- active_index_
: BALL::VIEW::PluginDialog
- active_stereo_action_
: BALL::VIEW::Scene
- activities
: BALL::QSAR::InputConfiguration
- adapt_char_
: BALL::TRRFile
- adapt_double_
: BALL::TRRFile
- adapt_float_
: BALL::DCDFile
, BALL::TRRFile
- adapt_size_
: BALL::DCDFile
, BALL::TRRFile
- add_button_
: BALL::VIEW::PubChemDialog
- ADD_HBONDS
: BALL::HBondProcessor::Option
, BALL::HBondProcessor::Default
- ADD_HYDROGENS
: BALL::AssignBondOrderProcessor::Option
, BALL::AssignBondOrderProcessor::Default
- add_hydrogens
: BALL::FragmentDB
- add_hydrogens_action_
: BALL::VIEW::EditableScene
- add_hydrogens_id_
: BALL::VIEW::MolecularStructure
- add_missing_hydrogens_
: BALL::AssignBondOrderProcessor
- additional_grid_distance_
: BALL::VIEW::ColorProcessor
- adjacent_edges_
: BALL::NodeItem< Node, Edge >
- advanced_options_modified_
: BALL::VIEW::DisplayProperties
- ai
: BALL::MMFF94VDWParameters::VDWEntry
- Aij_
: BALL::LennardJones
- alg_
: BALL::VIEW::DockProgressDialog
- ALGORITHM
: BALL::AssignBondOrderProcessor::Option
, BALL::AssignBondOrderProcessor::Default
- algorithm_dialogs_
: BALL::VIEW::DockDialog
- ALGORITHM_NAME
: BALL::RingPerceptionProcessor::Option
, BALL::RingPerceptionProcessor::Default
- algorithm_opt_
: BALL::VIEW::DockDialog
- algorithm_type_
: BALL::AmberNonBonded
, BALL::CharmmNonBonded
, BALL::MMFF94NonBonded
, BALL::RotationalEntropyLoss
- all_amino_acids_
: BALL::VIEW::PeptideDialog
- all_aromatic_atoms_
: BALL::Kekuliser
- all_aromatic_rings_
: BALL::CHPI
- all_atoms_
: BALL::SmilesParser
- all_CH_groups_
: BALL::CHPI
- all_fragments_
: BALL::FragmentDistanceCollector
- all_hydrogen_are_targets_
: BALL::HaighMallionShiftProcessor
- all_names_
: BALL::VIEW::GLRenderer
- all_small_beers_
: BALL::RingPerceptionProcessor
- all_small_rings_
: BALL::RingPerceptionProcessor
- all_torsions_
: BALL::ResidueTorsions
- allDiffEquations_
: BALL::QSAR::FitModel
- allEquations_
: BALL::QSAR::FitModel
- allowed_sf_
: BALL::VIEW::DockDialog
- alpha
: BALL::PDB::RecordCRYST1::UnitCell
, BALL::PDB::Structure::UnitCellInfo
, BALL::AssignBondOrderProcessor::PQ_Entry_
- ALPHA
: BALL::RegularExpression
, BALL::PairExpInteractionEnergyProcessor::Option
, BALL::PairExpInteractionEnergyProcessor::Default
- alpha_
: BALL::CCP4File
, BALL::DSN6File
, BALL::LineSearch
, BALL::PairExpInteractionEnergyProcessor
, BALL::PairExpRDFIntegrator
, BALL::AssignBondOrderProcessor
, BALL::VIEW::ColorRGBA
, BALL::CrystalInfo
- alpha_blending_
: BALL::VIEW::ColorMap
- alpha_i
: BALL::MMFF94VDWParameters::VDWEntry
- alpha_proton_oxygen_hydrogen_separation_distance_
: BALL::HBondShiftProcessor
- ALPHA_PROTON_OXYGEN_SEPARATION_DISTANCE
: BALL::HBondProcessor
- ALPHANUMERIC
: BALL::RegularExpression
- already_used_
: BALL::HydrogenBond
- alternate_location_indicator
: BALL::PDB::RecordANISOU
, BALL::PDB::RecordATOM
, BALL::PDB::RecordHETATM
, BALL::PDB::RecordHYDBND::HydrogenPartnerAtom
, BALL::PDB::RecordHYDBND::HydrogenAtom
, BALL::PDB::RecordLINK::LinkPartner
, BALL::PDB::RecordSIGATM
, BALL::PDB::RecordSIGUIJ
, BALL::PDB::RecordSLTBRG::PartnerAtom
- alternate_location_indicator_
: BALL::PDBFile
, BALL::PDBAtom
- amber_
: BALL::VIEW::AmberConfigurationDialog
, BALL::VIEW::MolecularStructure
- amber_dialog_
: BALL::VIEW::MinimizationDialog
, BALL::VIEW::MolecularDynamicsDialog
, BALL::VIEW::MolecularStructure
- amber_ff_id_
: BALL::VIEW::MolecularStructure
- ambient_
: BALL::VIEW::Stage
- ambient_color
: BALL::VIEW::Stage::RaytracingMaterial
- ambient_intensity
: BALL::VIEW::Stage::RaytracingMaterial
- ambiguity_code
: BALL::NMRStarFile::NMRAtomData
- amide_proton_factor_
: BALL::HBondShiftProcessor
- amide_proton_oxygen_hydrogen_separation_distance_
: BALL::HBondShiftProcessor
- AMIDE_PROTON_OXYGEN_SEPARATION_DISTANCE
: BALL::HBondProcessor
- amide_proton_subtrahend_
: BALL::HBondShiftProcessor
- amide_protons_are_targets_
: BALL::HBondShiftProcessor
- ancestor_
: BALL::Composite::AncestorIteratorTraits
- ang_num_
: BALL::GeometricFit::RotationAngles_
- angle
: BALL::MMFF94Torsion::Torsion
- angle_
: BALL::RSEdge
, BALL::SASEdge
, BALL::VIEW::LightSource
- angle_action_
: BALL::VIEW::MolecularControl
- angle_measure
: BALL::PDB::RecordCISPEP
- ANGLE_TOLERANCE
: BALL::CHPI::Option
, BALL::CHPI::Default
- angle_tolerance_
: BALL::AromaticRingStacking
, BALL::CHPI
- animation_export_PNG_action_
: BALL::VIEW::Scene
- animation_export_POV_action_
: BALL::VIEW::Scene
- animation_export_VRML_action_
: BALL::VIEW::Scene
- animation_points_
: BALL::VIEW::Scene
- animation_repeat_action_
: BALL::VIEW::Scene
- animation_running_
: BALL::VIEW::SnapshotVisualisationDialog
- animation_smoothness_
: BALL::VIEW::Scene
- animation_thread_
: BALL::VIEW::Scene
- anion
: BALL::MMFF94AtomTyper::AromaticType
- APPLY_FIRST_SOLUTION
: BALL::AssignBondOrderProcessor::Option
, BALL::AssignBondOrderProcessor::Default
- apply_processor_
: BALL::VIEW::AtomOverview
- aps_matcher
: BALL::GAFFCESParser::CESPredicate
- aps_terms
: BALL::GAFFCESParser::APSMatcher
- argument
: BALL::ExpressionParser::SyntaxTree
- argument_
: BALL::ExpressionPredicate
- arom
: BALL::MMFF94AtomType
- arom_proc_
: BALL::SMARTSPredicate
- aromat_list_
: BALL::JohnsonBoveyShiftProcessor
- aromatic_atoms_
: BALL::Kekuliser
- aromatic_bonds_
: BALL::MMFF94
- aromatic_color_
: BALL::VIEW::ResidueTypeColorProcessor
- aromatic_rings_
: BALL::MMFF94
, BALL::MMFF94ChargeProcessor
, BALL::AtomTyper
, BALL::Kekuliser
- aromatic_systems_
: BALL::Kekuliser
- aromatic_types_5_map_
: BALL::MMFF94AtomTyper
- arrow_width_
: BALL::VIEW::AddCartoonModel
- ASP_SEPERATION
: BALL::BindingPocketProcessor::Option
, BALL::BindingPocketProcessor::Default
- aspec
: BALL::MMFF94AtomType
- asps_
: BALL::BindingPocketProcessor
- assign_bond_orders_id_
: BALL::VIEW::MolecularStructure
- ASSIGN_CHARGES
: BALL::CharmmFF::Option
, BALL::AmberFF::Option
, BALL::AmberFF::Default
, BALL::CharmmFF::Default
, BALL::MMFF94::Option
, BALL::MMFF94::Default
- assign_charges_id_
: BALL::VIEW::MolecularStructure
- ASSIGN_TYPENAMES
: BALL::CharmmFF::Default
, BALL::AmberFF::Option
, BALL::AmberFF::Default
, BALL::CharmmFF::Option
, BALL::MMFF94::Option
, BALL::MMFF94::Default
- ASSIGN_TYPES
: BALL::MMFF94::Default
, BALL::AmberFF::Default
, BALL::AmberFF::Option
, BALL::CharmmFF::Option
, BALL::CharmmFF::Default
, BALL::MMFF94::Option
- asu_
: BALL::CrystalGenerator
- ATIJK
: BALL::MMFF94StretchBend::Bend
- atom
: BALL::PDB::Structure::AtomEntry
, BALL::CharmmEEF1::Data
, BALL::FragmentDB::BuildBondsProcessor::Connection
, BALL::Kekuliser::AtomInfo
, BALL::VIEW::EditableScene::EditOperation
- atom1
: BALL::MMFF94StretchBend::Stretch
, BALL::LennardJones::Data
, BALL::MOL2File::BondStruct
, BALL::AmberTorsion::SingleAmberTorsion
, BALL::CharmmTorsion::SingleCharmmTorsion
, BALL::MMFF94StretchBend::Bend
, BALL::MMFF94Torsion::Torsion
, BALL::CosineTorsion::Data
, BALL::CosineTorsion::SingleData
, BALL::Potential1210::Data
, BALL::QuadraticAngleBend::Data
, BALL::QuadraticBondStretch::Data
, BALL::QuadraticImproperTorsion::Data
- atom2
: BALL::QuadraticImproperTorsion::Data
, BALL::QuadraticBondStretch::Data
, BALL::CosineTorsion::SingleData
, BALL::MMFF94StretchBend::Bend
, BALL::MOL2File::BondStruct
, BALL::AmberTorsion::SingleAmberTorsion
, BALL::CharmmTorsion::SingleCharmmTorsion
, BALL::MMFF94StretchBend::Stretch
, BALL::MMFF94Torsion::Torsion
, BALL::CosineTorsion::Data
, BALL::LennardJones::Data
, BALL::Potential1210::Data
, BALL::QuadraticAngleBend::Data
- atom3
: BALL::AmberTorsion::SingleAmberTorsion
, BALL::CharmmTorsion::SingleCharmmTorsion
, BALL::MMFF94StretchBend::Bend
, BALL::MMFF94Torsion::Torsion
, BALL::CosineTorsion::Data
, BALL::CosineTorsion::SingleData
, BALL::QuadraticImproperTorsion::Data
, BALL::QuadraticAngleBend::Data
- atom4
: BALL::CharmmTorsion::SingleCharmmTorsion
, BALL::AmberTorsion::SingleAmberTorsion
, BALL::CosineTorsion::Data
, BALL::QuadraticImproperTorsion::Data
, BALL::MMFF94Torsion::Torsion
, BALL::CosineTorsion::SingleData
- atom_
: BALL::NodeItem< Node, Edge >
, BALL::ReducedSurface
, BALL::SmartsParser::SPAtom
, BALL::Peak< PositionType >
, BALL::SESVertex
, BALL::VIEW::BondProperties
, BALL::RSVertex
- atom_2_distance_
: BALL::VIEW::AtomDistanceColorProcessor
- atom_areas_
: BALL::NumericalSAS
- atom_array
: BALL::FDPB
- atom_data
: BALL::NMRStarFile::NMRAtomDataSet
- atom_data_sets_
: BALL::NMRStarFile
- atom_distance_
: BALL::VIEW::FieldLineCreator
- ATOM_EXACT_CHANGE
: BALL::MOLFile::Property
- atom_forces_
: BALL::SnapShot
- atom_format_
: BALL::MOLFile
- atom_grid_
: BALL::VIEW::ColorProcessor
- atom_group
: BALL::NMRStarFile::ShiftReferenceElement
- ATOM_H0_DESIGNATOR
: BALL::MOLFile::Property
- ATOM_HYDROGEN_COUNT
: BALL::MOLFile::Property
- atom_ID
: BALL::NMRStarFile::NMRAtomData
- atom_infos_
: BALL::Kekuliser
- ATOM_INVERSION_RETENTION
: BALL::MOLFile::Property
- atom_list_
: BALL::JohnsonBoveyShiftProcessor
- atom_map_
: BALL::PDBFile
- ATOM_MASS_DIFFERENCE
: BALL::MOLFile::Property
- atom_name
: BALL::PDB::RecordANISOU
, BALL::PDB::RecordHETATM
, BALL::PDB::RecordSIGATM
, BALL::PDB::RecordSIGUIJ
, BALL::PDB::RecordATOM
, BALL::PDB::RecordHYDBND::HydrogenPartnerAtom
, BALL::PDB::RecordHYDBND::HydrogenAtom
, BALL::PDB::RecordLINK::LinkPartner
, BALL::NMRStarFile::NMRAtomData
, BALL::PDB::RecordSLTBRG::PartnerAtom
- atom_name_A
: BALL::ResidueTorsions::Data
- atom_name_B
: BALL::ResidueTorsions::Data
- atom_name_C
: BALL::ResidueTorsions::Data
- atom_name_D
: BALL::ResidueTorsions::Data
- atom_name_in_current_strand
: BALL::PDB::RecordSHEET
- atom_name_in_previous_strand
: BALL::PDB::RecordSHEET
- atom_names
: BALL::JohnsonBoveyShiftProcessor::Ring
- atom_nr_
: BALL::AddHydrogenProcessor
- atom_number_
: BALL::VIEW::EditableScene
- atom_overview_
: BALL::VIEW::MolecularControl
- atom_overview_selection_
: BALL::VIEW::MolecularControl
- atom_pair_vector_
: BALL::MMFF94NonBonded
- atom_pos_
: BALL::VIEW::EditableScene
- atom_positions_
: BALL::SnapShot
- ATOM_REACTION_COMPONENT_NUMBER
: BALL::MOLFile::Property
- ATOM_REACTION_COMPONENT_TYPE
: BALL::MOLFile::Property
- atom_serial_number
: BALL::PDB::RecordCON06
, BALL::PDB::RecordCON062
, BALL::PDB::RecordCONECT
, BALL::PDB::RecordCON063
, BALL::PDB::RecordCON064
, BALL::PDB::RecordCON061
- atom_set_
: BALL::VIEW::AtomBondModelBaseProcessor
- atom_status_
: BALL::RSComputer
- ATOM_STEREO_CARE_BOX
: BALL::MOLFile::Property
- atom_surface_map_
: BALL::NumericalSAS
- atom_surfaces_
: BALL::NumericalSAS
- atom_to_block_
: BALL::AssignBondOrderProcessor
- atom_to_node_
: BALL::TMolecularGraph< Node, Edge >
- atom_to_test
: BALL::GAFFCESParser::CESPredicate
- atom_to_tnode_
: BALL::RingPerceptionProcessor
- atom_to_virtual_bond_index_
: BALL::AssignBondOrderProcessor
- atom_type
: BALL::NMRStarFile::NMRAtomData
, BALL::NMRStarFile::ShiftReferenceElement
, BALL::GAFFTypeProcessor::TypeDefinition
- ATOM_TYPE_FF_FILENAME
: BALL::HybridisationProcessor::Default
, BALL::HybridisationProcessor::Option
- ATOM_TYPE_FILE
: BALL::NonpolarSolvation::Option
, BALL::NonpolarSolvation::Default
- atom_type_normalization_factor
: BALL::AssignBondOrderProcessor::PQ_Entry_
- atom_type_normalization_factor_
: BALL::AssignBondOrderProcessor
- atom_type_penalty
: BALL::AssignBondOrderProcessor::Solution_
- atom_type_smarts_
: BALL::HybridisationProcessor
- ATOM_TYPE_SMARTS_FILENAME
: BALL::HybridisationProcessor::Option
, BALL::HybridisationProcessor::Default
- atom_typer_
: BALL::MMFF94
- atom_types_
: BALL::SolventParameter
, BALL::ForceFieldParameters
, BALL::MMFF94AtomTyper
, BALL::AssignTypeProcessor
, BALL::MMFF94
, BALL::GAFFTypeProcessor
- ATOM_VALENCE
: BALL::MOLFile::Property
- atom_vector_
: BALL::MolecularDynamics
- atom_velocities_
: BALL::SnapShot
- atom_volumes_
: BALL::NumericalSAS
- atomic_coordinate_records
: BALL::PDB::BookKeeping
- atomic_number
: BALL::GAFFTypeProcessor::TypeDefinition
, BALL::MMFF94AtomTyper::AromaticType
- atomic_number_
: BALL::VIEW::EditableScene
, BALL::Element
- atomic_number_to_element_
: BALL::PTE_
- atomic_property
: BALL::GAFFTypeProcessor::TypeDefinition
- atomic_radius_
: BALL::Element
- atomic_weight_
: BALL::Element
- atoms
: BALL::PDB::Structure
, BALL::RingAnalyser::Ring
- atoms_
: BALL::GeneralizedBornModel
, BALL::MMFF94ChargeProcessor
, BALL::VIEW::AddSurfaceModel
, BALL::AtomTyper
, BALL::ForceField
, BALL::MOL2File
- atoms_to_delete
: BALL::AssignBondOrderProcessor::Solution_
- ATOMTYPE_FILENAME
: BALL::GAFFTypeProcessor::Default
, BALL::GAFFTypeProcessor::Option
- attached_hydrogens
: BALL::GAFFTypeProcessor::TypeDefinition
- attenuation_
: BALL::VIEW::LightSource
- authors
: BALL::PDB::RecordAUTHOR
- average_
: BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_
- AVERAGE_SECTION_NAME
: BALL::CreateSpectrumProcessor
- averaging_
: BALL::PolarSolvation
- AVOGADRO
: BALL::Constant
- axis_color_
: BALL::VIEW::RegularData1DWidget
, BALL::VIEW::RegularData2DWidget
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