• Toolkit Version 2021.2
    • Release Highlights 2021.2
      • SiteHopper: New Toolkit for Protein Binding Site Comparison
      • SZYBKI: OpenFF-Sage force field support
      • OEChem: MMCIF and CIF writers
    • Detailed Release Notes 2021.2
      • OEChem TK 3.2.0
      • OEBio TK 3.2.0
      • OESystem TK 3.2.0
      • OEPlatform TK 3.2.0
      • OEGrid TK 3.2.0
      • OEMath TK 3.2.0
      • OEDepict TK 2.4.7
      • OEDocking TK 4.1.1
      • FastROCS TK 2.2.1
      • Grapheme TK 1.4.4
      • GraphSim TK 2.5.3
      • Lexichem TK 2.7.4
      • OEMedChem TK 1.1.5
      • MolProp TK 2.5.7
      • OEFF TK 2.4.0
      • Omega TK 4.1.2
      • Quacpac TK 2.1.3
      • Shape TK 3.4.3
      • SiteHopper TK 2.0.0
      • Spicoli TK 1.5.2
      • Spruce TK 1.4.0
      • Szmap TK 1.6.3
      • Szybki TK 2.4.0
      • Zap TK 2.4.2
    • Recent Release History
      • Release Highlights 2021.1
      • Release Highlights 2020.2
      • Release Highlights 2020.1
    • Previous Release History
      • 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
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  • Getting Started with OpenEye Python
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  • Informatics and Modeling Toolkits
    • OEChem Toolkit
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      • Index
    • OEDepict Toolkit
      • Introduction
      • Theory
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      • Appendices
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      • Index
    • OEDocking Toolkit
      • Introduction
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      • OEModels Examples
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      • Bibliography
      • Index
    • FastROCS Toolkit
      • Introduction
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      • API
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      • Index
    • OEFF Toolkit
      • Theory
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      • OEFF API
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      • Bibliography
      • Index
    • Grapheme Toolkit
      • Introduction
      • Theory
      • Examples
      • Preliminary API
      • API
      • Release History
      • Index
    • GraphSim Toolkit
      • Introduction
      • Theory
      • GPU Fast Fingerprints
      • Examples
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      • Release History
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      • Index
    • Lexichem Toolkit
      • Theory
      • Examples
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      • Index
    • OEMedChem Toolkit
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
      • Bibliography
      • Index
    • MolProp Toolkit
      • Theory
      • Examples
      • API
      • Release History
      • Bibliography
      • Index
    • Omega Toolkit
      • Theory
      • GPU-Omega
      • OMEGA Examples
      • API
      • Release History
      • Bibliography
      • Index
    • Quacpac Toolkit
      • Theory
      • Examples
      • API
      • Preliminary API
      • Release History
      • Bibliography
      • Index
    • Shape Toolkit
      • Theory
      • Examples
      • API
      • Release History
      • Bibliography
      • Index
    • SiteHopper Toolkit
      • Introduction
      • GPU-Related Requirements
      • Examples
      • Preliminary OESiteHopper API
      • Release History
    • Spicoli Toolkit
      • Theory
      • API
      • Release History
      • Glossary
      • Bibliography
      • Index
    • Spruce Toolkit
      • Introduction
      • Theory
      • Iridium
      • Examples
      • OESpruce API
      • Preliminary OESpruce API
      • Release History
    • Szmap Toolkit
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
      • Bibliography
      • Index
    • Szybki Toolkit
      • Theory
      • API
      • Preliminary API
      • Examples: Working with Szybki TK
      • Release History
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      • Index
    • Zap Toolkit
      • Theory and Examples
      • API
      • Release History
      • Index
Toolkits--python
  • Docs »
  • Informatics and Modeling Toolkits »
  • Szybki Toolkit 2.4.0.0 »
  • API »
  • 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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