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  • Introduction
  • Installation
  • Applications
  • CDPL Python Tutorial
  • CDPL Python Cookbook
    • 1. Processing of Chemical Data
    • 2. Pharmacophore Generation and Processing
    • 3. Calculation of Molecule, Atom and Bond Properties
      • 3.1. Atomic Properties
    • 4. Calculation of Molecule and Pharmacophore Descriptors
    • 5. 3D Structure and Conformer Generation
    • 6. Force Field Calculations
  • CDPL API Documentation
  • Release Notes
  • Acknowledgements
  • Bibliography
  • Index
CDPKit
  • CDPL Python Cookbook
  • 3. Calculation of Molecule, Atom and Bond Properties
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3. Calculation of Molecule, Atom and Bond Properties

  • 3.1. Atomic Properties
    • 3.1.1. Connectivity Properties
    • 3.1.2. Chemical Element Properties
    • 3.1.3. Classification Properties
    • 3.1.4. Partial Charges And Other Electronic Properties
    • 3.1.5. Physicochemical Properties
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