OEFF Classes

• OEFF14SBParsley
  • Constructors
  • operator=
• OEFF14SBParsleyComplex
  • Constructors
• OEFF14SBParsleyParams
  • Constructors
  • operator=
• OEFF14SBSage
  • Constructors
  • operator=
• OEFF14SBSageComplex
  • Constructors
• OEFF14SBSageParams
  • Constructors
  • operator=
• OEFF14SBSmirnoff
  • Constructors
  • operator=
  • PrepMol
• OEFF14SBSmirnoffComplex
  • Constructors
• OEFF14SBSmirnoffParams
  • Constructors
  • operator=
  • Load
• OEComplexEnergies
  • Constructors
  • operator=
  • GetComplexSolvationEnergy
  • GetDesolvationEnergy
  • GetHostComponents
  • GetHostEnergy
  • GetHostSolvationEnergy
  • GetInterComponents
  • GetInterEnergy
  • GetLigandComponents
  • GetLigandEnergy
  • GetLigandSolvationEnergy
  • GetTotalEnergy
• OEComplexFF
  • Constructors
  • AdaptHostCoords
• OEComplexFFParameter
  • Constructors
  • operator=
• OEForceFieldParameter
  • Constructors
  • operator=
• OEMMFFIEFF
  • Constructors
• OEMMFFAmberComplex
  • Constructors
• OEMMFFComplex
  • Constructors
• OEMMFFIEFFOptions
  • Constructors
  • operator=
  • GetIEFFTerms
  • GetMMFFTerms
  • GetUseMMFF94s
  • SetIEFFTerms
  • SetMMFFTerms
  • SetUseMMFF94s
• OEMMFFSheffield
  • Constructors
• OEMMFFSheffieldOptions
  • Constructors
  • operator=
  • GetDielectric
  • GetExponent
  • GetForceFieldType
  • SetDielectric
  • SetExponent
  • SetForceFieldType
• OESmirnoffComplex
  • Constructors