Man pages for jfoadi/crone
Structural crystallography in 1D

anomalous_dataTheoretical scattering factors for all atomic species
atom_gaussGaussian atom
atomsAtom names and atomic number
choose_aSuggests unit cell side, a, based on atom content
erfError function for real values
expand_to_cellExpand content of asymmetric unit to whole unit cell
fluorescent_scanFind optimal wavelength for anomalous phasing
fousynthFrom structure factors to density using Fourier synthesis
heavisideHeaviside function (step function)
invfousynthFrom density to structure factors using inverse Fourier...
KgaussConstant normalizing wrapped gaussian
load_anomalous_dataLoad anomalous data for a specific chemical element
load_dataLoad observed structure factors from 1D structure data in...
load_structureLoad 1D structure data in workspace.
local_maximaFind local maxima in a vector of real values
plot_absorption_curvesPlot of absorption curves
read_hRead data from a reflections file
read_xRead unit cell content (atom and coordinates).
reduce_to_asuReduce content of unit cell to asymmetric unit.
scafacScattering factor for 1D gaussian atoms
SFobsGeneration of structure factors with errors
standardise_fdataStandardise reflections data
standardise_sdataOrganise atom data in a standard format for later use
structure_gaussStructure of gaussian atoms
strufacCalculation of structure factors
write_hWrite structure factors to a reflections file
write_xWrite atomic coordinates to a file.
jfoadi/crone documentation built on May 17, 2017, 7:19 p.m.