Crystallography

Crystallographic Theory

• Basics of Crystallography
• Phase problem, and Phasing
• Twinning
• R-factors
• References and links

Crystallography Software

by package

(large packages first)

• CCP4
• CNS
• PHENIX
• SHELX C/D/E/L (homepage at [1])
• moleman, lsqman, ... from Uppsala Software Factory
• XDS homepage and XDSwiki
• HKL homepage
• COOT
• PyMol wiki
• O
• ARP/wARP
• SHARP homepage
• Solve/Resolve
• ...

by task

• Data reduction
• Molecular replacement (MR)
• Substructure determination
• Experimental phasing (SIR/MIR and SAD/MAD)
• Model building (interactive)
• Model building (automated)
• Refinement
• Model validation
• Solving a structure: Tips and Tricks
• Model building and refinement: Tricks and Tips