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