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
5.1. Single low-energy 3D structures
5.2. Conformer ensembles
6. Force Field Calculations
CDPL API Documentation
Bibliography
Index
CDPKit
»
CDPL Python Cookbook
»
5.
3D Structure and Conformer Generation
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5.
3D Structure and Conformer Generation
5.1. Single low-energy 3D structures
5.2. Conformer ensembles