Introduction
Installation
Applications
CDPL Python Tutorial
CDPL Python Cookbook
1. Basic Processing of Molecules and Reactions
2. Pharmacophore Generation and Processing
3. Calculation of Molecule, Atom and Bond Properties
4. Calculation of Molecule and Pharmacophore Descriptors
4.1. Fingerprints
4.2. Miscellaneous Descriptors
4.2.1. FAME Atom Environment Fingerprint
4.2.2. Receptor Binding Pocket Descriptor
5. 3D Structure and Conformer Generation
6. Force Field Calculations
7. Molecular Shape Analysis and Alignment
8. Visualization
CDPL API Documentation
Release Notes
Acknowledgements
Bibliography
Index
CDPKit
CDPL Python Cookbook
4.
Calculation of Molecule and Pharmacophore Descriptors
4.2.
Miscellaneous Descriptors
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4.2.
Miscellaneous Descriptors
4.2.1. FAME Atom Environment Fingerprint
4.2.2. Receptor Binding Pocket Descriptor