• Toolkit Version 2024.1
    • 2024.1 Highlights
      • Release Highlights
    • Detailed Release Notes 2024.1
      • Bioisostere TK 4.0.0
      • OEChem TK 4.1.0
      • OESystem TK 4.1.0
      • OEMath TK 4.1.0
      • OEBio TK 4.1.0
      • OEGrid TK 4.1.0
      • OESystem TK 4.1.0
      • OEMath TK 4.1.0
      • OEDepict TK 2.5.4
      • OEDocking TK 4.3.1
      • FastROCS TK 2.2.6
      • Grapheme TK 1.5.1
      • GraphSim TK 2.6.0
      • Lexichem TK 2.9.1
      • OEMedChem TK 1.2.2
      • MolProp TK 2.6.4
      • OEFF TK 2.7.1
      • Omega TK 5.1.0
      • Quacpac TK 2.2.4
      • Shape TK 3.6.2
      • SiteHopper TK 2.1.0
      • Spicoli TK 1.6.0
      • Spruce TK 1.6.0
      • Szmap TK 1.7.0
      • Szybki TK 2.7.1
      • Zap TK 2.4.7
    • Recent Release History
      • OEToolkits 2023.2
      • OEToolkits 2023.1
      • Release Highlights 2022.2
      • Release Highlights 2022.1
    • Previous Release History
      • 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 Java
    • License for OpenEye Toolkits
    • Introduction
    • Prerequisites
      • Platform Support
      • Windows
      • Linux
      • macOS
    • GPU Prerequisites
    • GPU-Related Requirements
      • Supported Platforms
      • Supported GPUs
      • NVIDIA Drivers
      • Performance Tuning
    • Download the OpenEye Java distribution
    • Installation
    • Using Apache Maven with OpenEye
      • Requirements
      • Creating a Maven Project
      • Using OpenEye Artifacts
      • Finding Available OpenEye Versions
      • Using OpenEye in HelloMaven
      • Using Maven to Compile and Run
      • Thoughts
      • Conclusion
    • How to Develop with the OpenEye Java Toolkit in Eclipse
      • Creating a New Project
      • Adding a Class to Our Project
      • Running Our Example inside Eclipse
      • Creating an Executable JAR
    • How to Develop with the OpenEye Java Toolkit in IntellJ IDEA
      • Creating a New Project
      • Create a Package and a Class
      • Running Our Example inside IDEA
      • Creating an Executable JAR
    • Creating an Example on the command line
    • Creating a custom oejava jar file
      • Examples of creating a special jar
    • 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
    • OEDepict TK
      • Introduction
      • Theory
      • Examples
      • API
      • Appendices
      • Release History
    • OEDocking TK
      • Introduction
      • Theory
      • OEDocking Examples
      • OEMakeReceptor Examples
      • OEModels Examples
      • API
      • Release History
    • FastROCS™ TK
      • Introduction
      • FastROCS vs ROCS
      • Installation
      • FastROCS Architecture
      • Examples
      • Tutorials
      • 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
      • Release History
    • Quacpac TK
      • Theory
      • Examples
      • API
      • Preliminary API
      • Release History
    • Shape TK
      • Theory
      • Examples
      • API
      • Deprecated API
      • Release History
    • Spicoli TK
      • Theory
      • 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 Toolkit
      • Theory and Examples
      • API
      • Release History
  • OpenEye Glossary of Terms
  • Bibliography
Toolkits--java
  • All OpenEye Documentation »
  • Contents »
  • Informatics and Modeling Toolkits »
  • Quacpac Toolkit 2.2.4.0 »
  • API »
  • Preliminary OEProton Class

Preliminary OEProton Class¶

  • OEChargeParameter
    • Constructors
    • operator=
  • OEMultistatepKaModel
    • Constructors
    • operator=
    • Init
    • CalculateNumOfMicrostates
    • GetModelMolecule
    • GetAtompKaRange
    • GetAtomAdjTypeAtNeutralpH
    • GenerateMicrostates
    • GetMicrostates
    • HasAdjTypeAtNeutralpH
    • HaspKaRange
    • SetAllAtomspKaData
  • OEMultistatepKaModelOptions
    • Constructors
    • GetpH
    • SetpH
    • GetProcessCarbons
    • SetProcessCarbons
    • GetMaxNumMicrostates
    • SetMaxNumMicrostates
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© Copyright 2024, Cadence Design Systems, Inc. (Cadence). Last updated on Jun 25, 2024.