Docking of molecular structures

Classes
class	BALL::ConformationSet
class	BALL::DockingAlgorithm
class	BALL::DockResult
class	BALL::DockResult::Scoring_
class	BALL::DockResult::Compare_
class	BALL::GeometricFit
struct	BALL::GeometricFit::Option
struct	BALL::GeometricFit::Default
class	BALL::GeometricFit::Peak_
class	BALL::GeometricFit::RotationAngles_
class	BALL::AmberEvaluation
class	BALL::EnergeticEvaluation
class	BALL::ForceFieldEvaluation
class	BALL::RandomEvaluation

Enumerations
enum	BALL::DockingAlgorithm::DISPLAYMODE { BALL::DockingAlgorithm::NO_DISPLAY = 0, BALL::DockingAlgorithm::BEST_INTERMEDIATE_POSES = 1, BALL::DockingAlgorithm::ALL_INTERMEDIATE_POSES = 2, BALL::DockingAlgorithm::NO_INTERMEDIATE_POSES = 3 }
enum	BALL::GeometricFit::ProteinIndex { BALL::GeometricFit::PROTEIN_A = 1, BALL::GeometricFit::PROTEIN_B = 2 }
enum	BALL::GeometricFit::SurfaceType { BALL::GeometricFit::CONNOLLY = 1, BALL::GeometricFit::VAN_DER_WAALS = 2, BALL::GeometricFit::FTDOCK = 3 }

Detailed Description

Enumeration Type Documentation

enum BALL::DockingAlgorithm::DISPLAYMODE

Enumerator
NO_DISPLAY
BEST_INTERMEDIATE_POSES
ALL_INTERMEDIATE_POSES
NO_INTERMEDIATE_POSES

Definition at line 49 of file dockingAlgorithm.h.

enum BALL::GeometricFit::ProteinIndex

Enumerator
PROTEIN_A
PROTEIN_B

Definition at line 258 of file geometricFit.h.

enum BALL::GeometricFit::SurfaceType

Enumerator
CONNOLLY
VAN_DER_WAALS
FTDOCK

Definition at line 261 of file geometricFit.h.