BALL  1.4.79
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Classes | Enumerations
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

Enumerator
NO_DISPLAY 
BEST_INTERMEDIATE_POSES 
ALL_INTERMEDIATE_POSES 
NO_INTERMEDIATE_POSES 

Definition at line 49 of file dockingAlgorithm.h.

Enumerator
PROTEIN_A 
PROTEIN_B 

Definition at line 258 of file geometricFit.h.

Enumerator
CONNOLLY 
VAN_DER_WAALS 
FTDOCK 

Definition at line 261 of file geometricFit.h.