Crystallography

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Crystallographic Theory

Crystallography Software

For Specific Tasks

Automated Pipelines for Structure Solution

Web services

Software Packages

(large packages first)

Tricks and Tips

Teaching crystallography

Crystallography versus NMR

A couple of papers analysing and comparing NMR and X-ray methods/structures:

  1. Science (1992), vol. 257, p. 961
  2. X-ray Crystallography and NMR: Complementary Views of Structure and Dynamics, Nature Structural Biology 4, 862-865 (1997). Preprint available from Axel Brunger's "publications" website.
  3. Traditional Biomolecular Structure Determination by NMR Spectroscopy Allows for Major Errors. S.B. Nabuurs, C.A.E.M. Spronk, G.W. Vuister, G. Vriend. PLoS Comput Biol 2(2): e9. [http://dx.doi.org/10.1371/journal.pcbi.0020009

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