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.realspaceClassDescriptionDataContainer interface.DiffractionData class.Different refinement mode selection types.RefinementModel class.
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Classes in ffx.xray used by ffx.realspace.cliClassDescriptionCombine the X-ray target and chemical potential energy using the
CrystalPotential
interfaceDifferent refinement mode selection types. -
ClassDescriptionStructure factor calculation (including bulk solvent structure factors)The possible solvent model methodsCrystal statistics output/loggerDataContainer interface.DiffractionData class.DiffractionRefinementData class.FormFactor interface.Combine the X-ray target and chemical potential energy using the
CrystalPotential
interfaceDifferent refinement mode selection types.RefinementModel class.Fit bulk solvent and aniso B scaling terms to correct calculated structure factors against dataScaleBulkMinimize class.Optimize SigmaA coefficients (using spline coefficients) and structure factor derivatives using a likelihood target function.SigmaAMinimize class.Fit structure factors using spline coefficientsSplineMinimize class. -
Classes in ffx.xray used by ffx.xray.cliClassDescriptionThe possible solvent model methodsDiffractionData class.Combine the X-ray target and chemical potential energy using the
CrystalPotential
interfaceDifferent refinement mode selection types. -
Classes in ffx.xray used by ffx.xray.parsers