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
4. Calculation of Molecule and Pharmacophore Descriptors
5. 3D Structure and Conformer Generation
6. Force Field Calculations
7. Molecular Shape Analysis and Alignment
7.1. Gaussian Shape-based Molecule Alignment
CDPL API Documentation
Release Notes
Acknowledgements
Bibliography
Index
CDPKit
CDPL Python Cookbook
7.
Molecular Shape Analysis and Alignment
View page source
7.
Molecular Shape Analysis and Alignment
7.1. Gaussian Shape-based Molecule Alignment