Density modification: theory and practice

• Theory

  • types of modification:
    • solvent flattening, averaging, Sayre’s equation,histogram matching, atomisation
  • real-space vs. reciprocal space

• Practical aspects of averaging

  • detecting non-crystallographic symmetry (NCS)
  • defining NCS
    • rotations
    • translations
  • defining envelopes

• Case histories

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© 1999-2005 Randy J Read, University of Cambridge. All rights reserved.

Last updated: 7 June, 2005