The SHELX-97 Manual (PDF format)

• Contents
• 1. General Introduction to SHELX-97
• 2. SHELXL: Structure refinement
• 3. Examples of Small Molecule Refinements with SHELXL
• 4. Constraints and Hydrogen Atoms
• 5. Restraints and Disorder
• 6. Refinement of Twinned Structures; Absolute Structure
• 7. SHELXL Instruction Summary
• 8. Strategies for Macromolecular Refinement
• 9. SHELXPRO: Protein Interface to SHELX-97
• 10. SHELXWAT: Automated Water Divining
• 11. Examples of Macromolecular Refinement
• 12. SHELXS - Structure Solution
• 13. Structure Solution by Direct Methods
• 14. Patterson Interpretation and Partial Structure Expansion
• 15. Location of Heavy Atoms from Protein dF Data
• 16. CIF, CIFTAB and Electronic Publication
• 17. SHELXA: Empirical Absorption Corrections
• 18. Frequently Asked Questions
• 19. SHELX-97 Installation
• 20. SHELX-97 Application Form
• References
• Index

The SHELX Homepage

Local installation

Example input files are in the directory /srv/local/shelx972/egs.