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GraphEnt
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GraphEnt
Contents
Contents
Recent additions
Version , Release 0.5
Version , Release 0.4
Version , Release 0.3
Version , Release 0.2
Overview
A word of caution
Installation guide
Using the pre-compiled executables
Building from source
Testing the executable
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
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.
Implementation specific notes
Algorithms
Of F000s, SCALes and TARGets
F
000
-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 GraphEnt mF
o
exp(i) map looks noiser than the conventional.
Old (obsolete) version's documentation
Introduction
The method.
Results.
Using the programme.
NMG, March 2000