BALL  1.4.79
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Classes

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

Fragment types

Enumerator
TYPE__UNKNOWN 
TYPE__FRAGMENT 
TYPE__RESIDUE 
TYPE__MOLECULE 

Definition at line 59 of file fragmentDB.h.

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.