Crystallography

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Contents

  • 1 Crystallographic Theory
  • 2 Crystallography Software
    • 2.1 by package
    • 2.2 by task

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)
  • Experimental phasing (SIR/MIR and SAD/MAD)
  • Model building
  • Refinement
  • Model validation
  • Solving a structure: Tips and Tricks
  • Model building and refinement: Tricks and Tips
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