Miscellaneous

Classes
class	BALL::AddHydrogenProcessor
class	BALL::AtomTyper
class	BALL::BindingPocketProcessor
struct	BALL::BindingPocketProcessor::Option
struct	BALL::BindingPocketProcessor::Default
class	BALL::BuildBondsProcessor
class	BALL::ConnectedComponentsProcessor
class	BALL::ClearChargeProcessor
class	BALL::ClearRadiusProcessor
class	BALL::AssignRadiusProcessor
class	BALL::AssignChargeProcessor
class	BALL::DisulfidBondProcessor
class	BALL::FragmentDB
class	BALL::FragmentDB::NoFragmentNode
class	BALL::FragmentDB::NormalizeNamesProcessor
struct	BALL::FragmentDB::BuildBondsProcessor::Connection
class	BALL::TransformationProcessor
class	BALL::HBondProcessor
	Computation of hydrogen bonds from topology information. More...
class	BALL::HBondProcessor::HBond
struct	BALL::HBondProcessor::PredictionMethod
	Default values for options. More...
struct	BALL::HBondProcessor::ResidueData
class	BALL::HybridisationProcessor
struct	BALL::HybridisationProcessor::Method
struct	BALL::HybridisationProcessor::Elements_
struct	BALL::HybridisationProcessor::AtomNames_
class	BALL::Kekuliser
class	BALL::PeptideCapProcessor
	This processor adds ACE-N and NME-C caps to proteins. More...
class	BALL::ReconstructFragmentProcessor
class	BALL::ResidueChecker
class	BALL::SecondaryStructureProcessor
	Secondary structure extraction from 3D structure. More...
class	BALL::SideChainPlacementProcessor
class	BALL::NodeItem< Node, Edge >
class	BALL::UCK

Enums
enum	BALL::FragmentDB::FragmentTypes { BALL::FragmentDB::TYPE__UNKNOWN = -1, BALL::FragmentDB::TYPE__FRAGMENT, BALL::FragmentDB::TYPE__RESIDUE, BALL::FragmentDB::TYPE__MOLECULE }
enum	BALL::ResidueChecker::TestType {   BALL::ResidueChecker::MISSING_ATOMS = 0, BALL::ResidueChecker::EXTRA_ATOMS, BALL::ResidueChecker::ELEMENTS, BALL::ResidueChecker::SUSPECT_BOND_LENGTHS,   BALL::ResidueChecker::NON_INTEGRAL_NET_CHARGE, BALL::ResidueChecker::LARGE_CHARGES, BALL::ResidueChecker::LARGE_NET_CHARGE, BALL::ResidueChecker::NAN_POSITIONS,   BALL::ResidueChecker::OVERLAPPING_ATOMS, BALL::ResidueChecker::STRONGLY_OVERLAPPING_ATOMS, BALL::ResidueChecker::DUPLICATE_ATOM_NAMES, BALL::ResidueChecker::UNKNOWN_RESIDUES,   BALL::ResidueChecker::NUMBER_OF_TESTS }

Detailed Description

Enumeration Type Documentation

enum BALL::FragmentDB::FragmentTypes

Fragment types

Enumerator
TYPE__UNKNOWN
TYPE__FRAGMENT
TYPE__RESIDUE
TYPE__MOLECULE

Definition at line 59 of file fragmentDB.h.

enum BALL::ResidueChecker::TestType

EnumsEnum to refer to the individual tests. The values of this enum are used by enable , disable , and isEnabled .

Enumerator
MISSING_ATOMS
EXTRA_ATOMS
ELEMENTS
SUSPECT_BOND_LENGTHS
NON_INTEGRAL_NET_CHARGE
LARGE_CHARGES
LARGE_NET_CHARGE
NAN_POSITIONS
OVERLAPPING_ATOMS
STRONGLY_OVERLAPPING_ATOMS
DUPLICATE_ATOM_NAMES
UNKNOWN_RESIDUES
NUMBER_OF_TESTS

Definition at line 141 of file residueChecker.h.