Uses of Package
ffx.xray
Packages that use ffx.xray
Package
Description
The Real Space package implements real space structure refinement.
The Real Space CLI package defines options for PicoCLI command line scripts.
The X-ray package implements support for X-ray and Neutron refinement.
The X-ray CLI package defines options for PicoCLI command line scripts.
The Parsers package reads CNS files and reads/writes MTZ files.
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Classes in ffx.xray used by ffx.realspace
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Classes in ffx.xray used by ffx.realspace.cliClassDescriptionCombine the X-ray target and chemical potential energy using the
CrystalPotentialinterface -
ClassDescriptionStructure factor calculation (including bulk solvent structure factors)DataContainer interface.DiffractionData class.DiffractionRefinementData class.Combine the X-ray target and chemical potential energy using the
CrystalPotentialinterfaceFit bulk solvent and aniso B scaling terms to correct calculated structure factors against dataOptimize SigmaA coefficients (using spline coefficients) and structure factor derivatives using a likelihood target function.Fit structure factors using spline coefficientsThe SplineType enum represents types of splines that can be used in X-ray diffraction energy calculations within the context of the SplineEnergy class. -
Classes in ffx.xray used by ffx.xray.cliClassDescriptionDiffractionData class.Combine the X-ray target and chemical potential energy using the
CrystalPotentialinterface -
Classes in ffx.xray used by ffx.xray.parsers