• Orion Small Molecule Discovery Suite
    • Small Molecule Discovery
      • Biomolecular Modeling
        • Tutorials
        • Biomodeling Floes - Documentation
        • Release Notes
      • Cheminformatics
        • cheminfo - Documentation
        • cheminfo - Cube Documentation
        • Tutorials
        • Release Notes
      • Classic Floes - OpenEye Applications in Orion
        • Tutorials
        • How To Guides
        • Frequently Asked Questions
        • OpenEye Classic Floes - Documentation
        • Release Notes
      • Cryptic Pocket Detection
        • Tutorials
        • OpenEye Cryptic Pocket Detection Floes - Documentation
        • Release Notes
        • Bibliography
      • Format Conversion
        • Orion ETL Floes - Documentation
        • Release Notes
      • Generative Chemistry
        • Generative Structure Floes - Documentation
        • Release Notes
      • Large Scale Floes
        • Tutorials
        • How-to Guides
        • Floe Reference Material
        • Explanations
        • Release Notes
      • Machine Learning Model Building Floes
        • Introduction and Tutorials
        • How-To Guides
        • Floe Reference Documentation
        • Release Notes
        • FAQs
      • Macromolecular Data Service (MMDS) Floes
        • MMDS Floes - Documentation
        • Third Party Licensing
        • Release Notes
      • Molecular Dynamics Affinity Package
        • Introduction
        • How-To Guide and Tutorials
        • MD Affinity Floes - Documentation
        • oemdaffinity.cubes - Cube Documentation
        • Release Notes
      • Molecular Dynamics Core Package
        • Introduction
        • MD DataRecord
        • orionmdcore.cubes - Cube Documentation
        • Release Notes
      • Permeability Floes
        • Tutorials
        • OpenEye Permeability Floes - Documentation
        • permeability.cubes - Cube Documentation
        • Release Notes
      • Quantum Mechanics Psi4 Floes
        • Psi4 QM Floes
        • How-To Guides
        • Frequently Asked Questions
        • Release Notes
        • Bibliography
      • Reagent Enumeration
        • Large Scale Reaction Enumeration - Documentation
        • Release Notes
      • Snowball - The Primary OpenEye Cube Library
        • Definitions of Floe Classifications
        • snowball - Cube Documentation
        • Release Notes
    • Small Molecule Discovery Suite Release Notes, 2023.1.2
      • Classic Floes
        • v0.12.1 September 2023
        • v0.12.0 July 2023
        • v0.11.2 December 2022
        • v0.10.1 September 2022
        • v0.10.0 July 2022
        • v0.9.0 December 2021
        • v0.8.3 June 2021
        • v0.7.1 November 2020
        • v0.6.2 August 2020
        • v0.6.1 August 2020
        • v0.5.2 April 2020
        • v0.4.0 November 2019
        • v0.3.6 September 2019
        • v0.3.3 July 2019
        • v0.3.1 June 2019
        • v0.2.5 March 2019
        • v0.2.2 September 2018
      • Cryptic Pocket Detection
        • 0.1.2 September 2023
        • 0.1.0 July 2023
      • Format Conversion (ETL Floes)
        • v6.0.0 September 2023
        • v2.3.0 July 2023
        • v2.1.3 February 2023
        • v2.1.2 November 2022
        • v2.1.1 September 2022
        • v2.1.0 July 2022
        • v2.0.2 February 2022
        • v2.0.1 December 2021
        • v2.0.0 November 2021
        • v1.2.9 November 2021
        • v1.2.8 October 2021
        • v1.2.7 October 2021
        • v1.2.6 June 2021
        • v1.2.5 June 2021
        • v1.2.4 November 2020
        • v1.2.3 August 2020
        • v1.2.2 April 2020
        • v1.2.1 March 2020
        • v1.2.0 February 2020
        • v1.1.1 October 2019
        • v1.1.0 August 2019
        • v1.0.0 July 2019
        • v0.1.29 April 2019
        • v0.1.28 February 2019
        • v0.1.27 February 2019
        • v0.1.26 February 2019
        • v0.1.25 January 2019
        • v0.1.24 December 2018
        • v0.1.23 November 2018
        • v0.1.22 November 2018
        • v0.1.21 October 2018
        • v0.1.20 October 2018
        • v0.1.19 October 2018
        • v0.1.18 September 2018
        • v0.1.17 September 2018
        • v0.1.16 September 2018
        • v0.1.15 September 2018
        • v0.1.14 September 2018
      • Generative Chemistry
        • v0.7.1 September 2023
        • v0.7.0 July 2023
        • v0.6.0 December 2022
        • v0.5.1 September 2022
        • v0.5.0 July 2022
        • v0.4.0 December 2021
        • v0.3.2 July 2021
        • v0.3.1 June 2021
        • v0.2.14 November 2020
        • v0.2.13 November 2020
        • v0.2.12 August 2020
        • v0.2.11 May 2020
      • Large Scale Floes
        • 4.0.2 September 2023
        • 4.0.0 July 2023 (Orion Floe 2023.1 Release)
        • 3.4.5 December 2022 (Orion 2022.4 Release)
        • 3.3.4 September 2022
        • 3.3.0 June 2022 (Orion 2022.2 release)
        • 3.2.0 April 2022 (Orion 2022.1 release)
        • 3.1.7 Dec 2021 (Orion 2021.2.1 release)
        • 3.0.3 Oct 2021 (hotfix)
        • 3.0.2 Jun 2021 (Orion 2021.1 release)
        • 2.0.6 April 2021 (hotfix)
        • 2.0.0 Nov 2020 (Orion 2020.3 release)
        • 0.1.0 August 2020 (Orion 2020.2 release)
      • Molecular Dynamics Affinity Package
        • v 6.1.7 September 2023
        • v 6.1.4 September 2023
        • v 6.1.2 July 2023
        • v 6.0.3 April 2023
        • v 5.6.1 December 2022
        • v 5.5.3 September 2022
        • v 5.5.0 July 2022
        • v 5.0.5 April 2022
        • v 5.0.3 December 2021
        • v 4.0.1 June 2021
        • v3.0.1 November 2020
        • v2.0.0 September 2020
        • v1.0.0
        • v0.9.6
        • v0.9.4
      • Molecular Dynamics Core Package
        • v 2.1.1 September 2023
        • v 2.1.0 July 2023
        • v 2.0.1 April 2023
        • v 1.1.6 June 2022
        • v 1.1.5 April 2022
        • v 1.1.2 December 2021
      • Permeability Floes
        • v0.1.5 September 2023
        • v0.1.4 July 2023
        • v0.1.3 December 2022
        • v0.1.2 September 2022
        • v0.1.1 July 2022
        • v0.1.0 April 2022
      • Snowball - The Primary OpenEye Cube Library
        • v0.26.1 September 2023
        • v0.26.0 July 2023
        • v0.25.3 December 2022
        • v0.24.1 September 2022
        • v0.24.0 July 2022
        • v0.23.1 December 2021
        • v0.20.1 June 2021
        • v0.20.1 November 2020
        • v0.19.3 August 2020
        • v0.19.1 August 2020
        • v0.18.2 April 2020
        • v0.17.2 November 2019
        • v0.16.6 September 2019
        • v0.16.0 July 2019
        • v0.15.0 June 2019
        • v0.14.0 June 2019
        • v0.13.6 March 2019
        • v0.13.4 November 2018
        • v0.13.3 September 2018
        • v0.13.0 August 2018
  • Orion Formulations Suite
    • Formulation Packages
      • Crystal Structure Prediction & Properties
        • Theory
        • Tutorials
        • Crystal Math Floes - Documentation
        • Release Notes
        • Bibliography
    • Formulations Suite Release Notes, 2023.1.1
      • Crystal Structure Prediction & Properties
        • v2.9.2 December 2022
        • v2.8.1 July 2022
        • v2.7.1 December 2021
        • v2.5.0 November 2020
        • v2.0.0 August 2020
        • v1.8.4 April 2020
  • Orion Antibody Discovery Suite
    • Antibody Discovery Packages
      • AbXtract™ - NGS Antibody Discovery
        • Introduction to AbXtract
        • Tutorials
        • How to Guides
        • Frequently Asked Questions
        • Abxtract Floes - Documentation
        • abxtract - Cube Documentation
        • Key Fields
        • Release Notes
    • Antibody Discovery Suite Release Notes, 2023.1.2
      • AbXtract - NGS Antibody Discovery
        • v0.1.5 October 2023
        • v0.1.4 December 2022
        • v0.1.3 June 2022
        • v0.1.2 April 2022
        • v0.1.1 March 2022
        • v0.1.0 December 2021
  • Orion Gaussian Module
    • Gaussian Documentation
      • Gaussian Floe Tutorials
        • Introduction
        • Gaussian QM Conformer Ensemble Tutorial
        • Gaussian QM Torsion Scan Tutorial
        • Gaussian QM Run Input Files Successful Calculation
        • Gaussian QM Run Input Files Failed Calculation
        • Gaussian QM Single-Point Energy Tutorial
        • Gaussian QM Geometry Optimization Tutorial
      • Frequently Asked Questions
        • When should hardware requirements be changed?
        • How should hardware metrics be checked in QM calculations?
        • How much will a Floe cost?
        • What method and basis set should be used?
        • How can Gaussian log files be used to understand failures?
        • Why are there multiple serial cubes instead of a parallel cube?
        • How do you create datasets on Orion?
        • Why are my calculations failing due to the presence of implicit hydrogens?
        • How do you rerun a Gaussian calculation from a checkpoint file?
        • Can GPUs be used with Gaussian on Orion?
        • How should files for the Run Gaussian Input File Floe be created and organized?
        • Why did the Gaussian input file change after running on Orion?
        • What should you know before running a large calculation with a Gaussian input file?
      • OpenEye Gaussian QM Floes - Documentation
        • Gaussian QM Conformer Ensemble
        • Gaussian QM Fragmentation and Torsion Scan
        • Gaussian QM Geometry Optimization
        • Gaussian QM Parallel Run Input Files
        • Gaussian QM Run Input Files
        • Gaussian QM SMARTS Torsion Scan
        • Gaussian QM Single Point Energy
        • Gaussian QM UI Torsion Scan
      • Release Notes
        • v0.4.0 July 2023
        • v0.3.3 December 2022
        • v0.2.0 (Orion Release 2022.2)
        • v0.1.0 (Orion Release 2022.1)
    • Gaussian Module Release Notes, 2023.1.1
      • Gaussian Module Release Notes
        • v0.4.0 July 2023
        • v0.3.3 December 2022
        • v0.2.0 (Orion Release 2022.2)
        • v0.1.0 (Orion Release 2022.1)
  • Legal Notices
    • Copyright and Trademarks
    • Sample Code
    • Citation
      • Orion ® Floes
      • Toolkits and Applications
      • OpenEye Web Services
    • Technology Licensing
    • GCC
      • GCC RUNTIME LIBRARY EXCEPTION
      • GNU GENERAL PUBLIC LICENSE
Suites and Modules User Guide
  • All OpenEye Documentation »
  • Contents »
  • Orion Small Molecule Discovery Suite »
  • Small Molecule Discovery »
  • OpenEye Cheminformatics Floes Documentation »
  • cheminfo - Cube Documentation »
  • Sphere Exclusion »
  • Generate Heads

Generate Heads¶

  • Generate Heads for 2D Directed Sphere Exclusion
  • 2D
    • Generate Heads for 3D Directed Sphere Exclusion
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© Copyright 2023, Cadence Design Systems, Inc.. Last updated on Nov 01, 2023.