ZAP
Electrostatics at OpenEye
Python Programming Manual
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4.1 OEArea
4. OEZap Classes
Subsections
4.1 OEArea
4.1.1 Constructors
4.1.2 operator=
4.1.3 GetArea
4.1.4 GetMethod
4.1.5 GetUseHydrogens
4.1.6 SetMethod
4.1.7 SetUseHydrogens
4.2 OEBind
4.2.1 Constructors
4.2.2 operator=
4.2.3 Bind
4.2.4 GetZap
4.2.5 SetProtein
4.2.6 SetZap
4.2.7 SimpleBind
4.3 OEBindResults
4.3.1 Constructors
4.3.2 operator=
4.3.3 GetAnalyticCoulombicBindingEnergy
4.3.4 GetBoundLigandCoulombEnergy
4.3.5 GetBoundProteinCoulombEnergy
4.3.6 GetComplexCoulombEnergy
4.3.7 GetCoulombEnergy
4.3.8 GetDesolvationEnergy
4.3.9 GetLigandDesolvationEnergy
4.3.10 GetProteinDesolvationEnergy
4.3.11 GetUnboundLigandCoulombEnergy
4.3.12 GetUnboundProteinCoulombEnergy
4.3.13 Print
4.4 OEET
4.4.1 Constructors
4.4.2 operator=
4.4.3 GetDielectric
4.4.4 GetGridBuffer
4.4.5 GetGridSpacing
4.4.6 GetInnerMask
4.4.7 GetJoin
4.4.8 GetOuterMask
4.4.9 GetSaltConcentration
4.4.10 SetDielectric
4.4.11 SetGridBuffer
4.4.12 SetGridSpacing
4.4.13 SetInnerMask
4.4.14 SetJoin
4.4.15 SetOuterMask
4.4.16 SetRefMol
4.4.17 SetSaltConcentration
4.4.18 Tanimoto
4.5 OESimpleBindResults
4.5.1 Constructors
4.5.2 operator=
4.5.3 GetBindingEnergy
4.5.4 GetBoundLigandArea
4.5.5 GetBoundLigandAreaEnergy
4.5.6 GetBoundLigandZapEnergy
4.5.7 GetBoundProteinArea
4.5.8 GetBoundProteinAreaEnergy
4.5.9 GetBoundProteinZapEnergy
4.5.10 GetBuriedArea
4.5.11 GetBuriedAreaEnergy
4.5.12 GetComplexArea
4.5.13 GetComplexAreaEnergy
4.5.14 GetComplexZapEnergy
4.5.15 GetConf
4.5.16 GetUnboundLigandArea
4.5.17 GetUnboundLigandAreaEnergy
4.5.18 GetUnboundLigandZapEnergy
4.5.19 GetUnboundProteinArea
4.5.20 GetUnboundProteinAreaEnergy
4.5.21 GetUnboundProteinZapEnergy
4.5.22 GetZapEnergy
4.5.23 Print
4.6 OEZap
4.6.1 Constructors
4.6.2 operator=
4.6.3 CalcAtomPotentials
4.6.4 CalcForces
4.6.5 CalcPotentialGrid
4.6.6 CalcSolvationEnergy
4.6.7 ClearFocusTarget
4.6.8 GetBoundarySpacing
4.6.9 GetDielectricModel
4.6.10 GetFocusTarget
4.6.11 GetGridSpacing
4.6.12 GetInnerDielectric
4.6.13 GetIterations
4.6.14 GetMolecule
4.6.15 GetOuterDielectric
4.6.16 GetProbeRadius
4.6.17 GetSaltConcentration
4.6.18 IsFocusTargetSet
4.6.19 SetBoundarySpacing
4.6.20 SetDielectricModel
4.6.21 SetFocusTarget
4.6.22 SetGridSpacing
4.6.23 SetInnerDielectric
4.6.24 SetIterations
4.6.25 SetMolecule
4.6.26 SetOuterDielectric
4.6.27 SetProbeRadius
4.6.28 SetSaltConcentration
ZAP
Electrostatics at OpenEye
Python Programming Manual
Previous:
2 API
Up:
2 API
Next:
4.1 OEArea
Documentation released on June 4, 2008.
