Index

Index

a | c | g | m | o | s

A

AM1-BCC

charges

C

charges

AM1-BCC

charges (continued)

MMFF94

G

GRASP

M

MMFF94

charges

O

OEArea Constructors GetArea GetMethod GetUseHydrogens operator= SetMethod SetUseHydrogens

OEAssignBondiVdWRadii, [Link]

OEAtomBase

SetRadius

OEBind Bind Constructors GetZap operator= SetProtein SetZap SimpleBind

OEBindResults Constructors GetAnalyticCoulombicBindingEnergy GetBoundLigandCoulombEnergy GetBoundProteinCoulombEnergy GetComplexCoulombEnergy GetCoulombEnergy GetDesolvationEnergy GetLigandDesolvationEnergy GetProteinDesolvationEnergy GetUnboundLigandCoulombEnergy GetUnboundProteinCoulombEnergy operator= Print

OECalculateCoulombicBinding

OECoulombicAtomPotentials

OECoulombicSelfEnergy

OEET Constructors GetDielectric GetGridBuffer GetGridSpacing GetInnerMask GetJoin GetOuterMask GetSaltConcentration operator= SetDielectric SetGridBuffer SetGridSpacing SetInnerMask SetJoin SetOuterMask SetRefMol SetSaltConcentration Tanimoto

OEMakeETGrid

OESimpleBindResults, [Link]

OESimpleBindResults (continued)

Constructors
GetBindingEnergy
GetBoundLigandArea
GetBoundLigandAreaEnergy
GetBoundLigandZapEnergy
GetBoundProteinArea
GetBoundProteinAreaEnergy
GetBoundProteinZapEnergy
GetBuriedArea
GetBuriedAreaEnergy
GetComplexArea
GetComplexAreaEnergy
GetComplexZapEnergy
GetConf
GetUnboundLigandArea
GetUnboundLigandAreaEnergy
GetUnboundLigandZapEnergy
GetUnboundProteinArea
GetUnboundProteinAreaEnergy
GetUnboundProteinZapEnergy
GetZapEnergy
operator=
Print

OEZap CalcAtomPotentials CalcForces CalcPotentialGrid CalcSolvationEnergy ClearFocusTarget Constructors GetBoundarySpacing GetDielectricModel GetFocusTarget GetGridSpacing GetInnerDielectric GetIterations GetMolecule GetOuterDielectric GetProbeRadius GetSaltConcentration IsFocusTargetSet operator= SetBoundarySpacing SetDielectricModel SetFocusTarget SetGridSpacing SetInnerDielectric SetIterations SetMolecule SetOuterDielectric SetProbeRadius SetSaltConcentration

OEZapGetRelease

OEZapGetVersion

OEZapIsLicensed

S

SetRadius

OEAtomBase