- 1. Introduction
- 2. Installation
- 3. Molecular Name Lookup
- 4. Structure Conversion
- 5. XYZ File Handling
- 6. Semiempirical Calculations with xTB
- 7. Conformer/Rotamer Search
- 8. Important Data Structures
- 9. List of Available Solvents for xTB
- 10. Background Information on Structure Conversion