Contents

• Contents
• Recent additions
  • Version , Release 1.1
  • Version , Release 1.0
  • Version , Release 0.9
  • Version , Release 0.8
  • Version , Releases 0.6, 0.7
  • Version , Release 0.5
  • Version , Release 0.4
  • Version , Release 0.3
  • Version , Release 0.2
•  Overview
•  A word of caution
•  A doer's guide.
  •  Scenario A : Non-centrosymmetric space group - CCP4 available.
  •  Scenario B : Centrosymmetric space group - CCP4 available.
  •  Scenario C : CCP4 not available
•  Methods, algorithms and a few examples
  •  The method
  •  Examples
•  Using the program
  •  Installation guide
  •  Supported crystallographic calculations
  •  The .mtz wrapper
  •  The AUTO wrapper.
  •  Program output
  •  Map formats
  •  The normal probability plot & how to use it.
  •  Working with X-PLOR and CNS
  •  Words of FFTW's wisdom
•  The real thing : keyworded input.
  • CELL AND SYMMETRY RELATED KEYWORDS
  • GRAPHICS-RELATED KEYWORDS
  • REFLECTION SELECTION AND MODIFICATION.
  • CALCULUS AND LIMITS-RELATED KEYWORDS.
  • MISCELLANEOUS KEYWORDS.
  • MODE SELECTION AND OUTPUT FORMATS.
•  Of F000s, SCALes and TARGets
  •  F₀₀₀-related things
  •  Connection with the SCALe and TARGet keywords
•  Pathology of GraphEnt calculations, and frequent problems
  •  Slow convergence, or no convergence
  •  Wrong symmetry elements in the map
  •  When I plot the exported GraphEnt map, it looks different
  •  The GraphEnt map looks worringly sharp (and noisy)
  •  The GraphEnt map changes considerably during the calculation
  •  All my anomalous Pattersons are ``consistent with a uniform map''
  •  My native Patterson function calculations will take two years of CPU time to complete.
  •  My molecule disappeared from the GraphEnt EM projection map.