• Toolkit Version 2024.2
    • 2024.2 Highlights
      • OEToolkits 2024.2.1
      • OEToolkits 2024.2.0
    • Detailed Release Notes 2024.2
      • Bioisostere TK 4.1.0
      • OEChem TK 4.1.1.1
      • OEChem TK 4.1.1.0
      • OEPlatform TK 4.1.1
      • OEBio TK 4.1.1
      • OEDepict TK 2.5.5
      • OEDocking TK 4.3.2
      • Eon TK 3.1.0
      • FastROCS TK 2.2.7
      • Grapheme TK 1.5.2
      • GraphSim TK 2.6.1
      • Lexichem TK 2.9.2
      • OEMedChem TK 1.2.3
      • MolProp TK 2.6.5
      • OEFF TK 2.8.0
      • Omega TK 6.0.0
      • Quacpac TK 2.2.5
      • Shape TK 3.7.0
      • SiteHopper TK 2.1.1
      • Spicoli TK 1.6.1
      • Spruce TK 1.6.1.1
      • Spruce TK 1.6.1
      • Szmap TK 1.7.1
      • Szybki TK 2.8.0
      • Zap TK 2.5.0
    • Recent Release History
      • OEToolkits 2024.1
      • OEToolkits 2023.2
      • OEToolkits 2023.1
      • Release Highlights 2022.2
    • Previous Release History
      • Release Highlights 2022.1
      • Release Highlights 2021.2
      • Release Highlights 2021.1
      • Release Highlights 2020.2
      • Release Highlights 2020.1
      • OEToolkits 2019.Oct
      • OEToolkits 2019.Apr
      • OEToolkits 2018.Oct
      • OEToolkits 2018.Feb
      • OEToolkits 2017.Oct
      • OEToolkits 2017.Jun
      • OEToolkits 2017.Feb
      • OEToolkits 2016.Oct
      • OEToolkits 2016.Jun
      • OEToolkits 2016.Feb
      • OEToolkits 2015.Oct
      • OEToolkits 2015.Jun
      • OEToolkits 2015.Feb
      • OEToolkits 2014.Oct
      • OEToolkits 2014.Jun
      • OEToolkits 2014.Feb
      • OEToolkits 2013.Oct
      • OEToolkits 2013.Jun
      • OEToolkits 2013.Feb
      • OEToolkits 2012.Oct
      • OEToolkits 2012.Jun
      • OEToolkits 2012.Feb
      • OEToolkits 2011.Oct
      • OEToolkits 2011.1
      • OEToolkits 1.7.4
      • OEToolkits 1.7.2
      • OEToolkits 1.7.1
      • OEToolkits 1.7.0
  • Introduction
    • Toolkit API
    • Release Cycle
  • Getting Started with OpenEye Python
    • License for OpenEye Toolkits
    • Installation
      • Prerequisites
      • GPU Prerequisites
      • GPU-Related Requirements
      • Installing Python on macOS and Linux
      • Linux & macOS
      • Windows
      • Uninstallation
    • How to Develop with the OpenEye Python Toolkit in PyCharm
      • Create a New Project
      • Adding the OpenEye Python Toolkit to Your Project as a Package
      • Adding a module to your project
    • How to Import the Toolkits
    • Legal Notices
      • Copyright and Trademarks
      • Sample Code
      • Citation
      • Technology Licensing
  • Informatics and Modeling Toolkits
    • OEChem TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Bioisostere TK
      • Theory
      • Bioisostere Examples
      • API
      • Release History
    • OEDepict TK
      • Introduction
      • Theory
      • Examples
      • API
      • Appendices
      • Release History
    • OEDocking TK
      • Introduction
      • Theory
      • OEDocking Examples
      • OEModels Examples
      • API
      • Release History
    • Eon TK
      • Introduction
      • Theory
      • Eon Examples
      • API
      • Release History
    • FastROCS™ TK
      • Introduction
      • FastROCS vs ROCS
      • Installation
      • FastROCS Architecture
      • Examples
      • Tutorials
      • API
      • Release History
    • OEFF TK
      • Theory
      • OEFF Examples
      • OEFF API
      • Release History
    • Grapheme™ TK
      • Introduction
      • Theory
      • Examples
      • Preliminary API
      • API
      • Release History
    • GraphSim TK
      • Introduction
      • Theory
      • GPU Fast Fingerprints
      • Examples
      • API
      • Release History
    • Lexichem TK
      • Theory
      • Examples
      • API
      • Release History
    • OEMedChem TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • MolProp TK
      • Theory
      • Examples
      • API
      • Release History
    • Omega TK
      • Theory
      • GPU-Omega
      • OMEGA Examples
      • API
      • Preliminary API
      • Release History
    • Quacpac TK
      • Theory
      • Examples
      • API
      • Preliminary API
      • Release History
    • Shape TK
      • Theory
      • Examples
      • API
      • Deprecated API
      • Release History
    • SiteHopper TK
      • Introduction
      • GPU-Related Requirements
      • Examples
      • Preliminary OESiteHopper API
      • Release History
    • Spicoli TK
      • Theory
      • API
      • Release History
    • Spruce TK
      • Introduction
      • Theory
      • Iridium
      • Examples
      • OESpruce API
      • Release History
    • Szmap TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Szybki TK
      • Introduction
      • Theory
      • API
      • Preliminary API
      • Examples: Working with Szybki TK
      • Release History
    • Zap TK
      • Theory and Examples
      • API
      • Release History
  • OpenEye Glossary of Terms
  • Bibliography
Toolkits--python
  • All OpenEye Documentation »
  • Contents »
  • Informatics and Modeling Toolkits »
  • Szybki Toolkit 2.8.0.1 »
  • API »
  • OESz Classes

OESz Classes¶

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