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      • OESz Classes
        • OEFixedProteinLigandOptimizer
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        • OEProteinFlexOptions
        • OEProteinLigandOptOptions
        • OEProteinLigandOptResults
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Toolkits--python
  • Docs »
  • Szybki Toolkit 2.3.0.2 »
  • OESz Classes

OESz ClassesΒΆ

  • OEFixedProteinLigandOptimizer
    • Constructor
    • operator=
    • Energy
    • Optimize
    • SetProtein
  • OEFlexProteinLigandOptimizer
    • Constructor
    • operator=
    • Energy
    • Optimize
  • OEProteinFlexOptions
    • Constructor
    • operator=
    • GetFlexRange
    • GetResidueID
    • SetFlexRange
    • SetResidueID
  • OEProteinLigandOptOptions
    • Constructor
    • operator=
    • GetGradTolerance
    • GetLigandCharge
    • GetForceField
    • GetMaxIter
    • GetOptimizationType
    • SetGradTolerance
    • SetLigandCharge
    • SetForceField
    • SetMaxIter
    • SetOptimizationType
  • OEProteinLigandOptResults
    • Constructors
    • operator=
    • GetReturnCode
    • GetInitialEnergies
    • GetFinalEnergies
    • GetLigandRMSD
    • GetProteinRMSD
    • GetTotalRMSD
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