[ Identification | Description | Input parameters | Output parameters | Links ]

The SANSPDBFast Component

A sample describing a thin solution of proteins using linear interpolation to increase computational speed. This components must be compiled with the -lgsl and -lgslcblas flags (and possibly linked to the appropriate libraries).

Identification

Description

This components expands the formfactor amplitude of the protein on spherical
harmonics and computes the scattering profile using these. The expansion is
done on amino-acid level and does not take hydration layer into account.
The component must have a valid .pdb-file as an argument.

WARNING: This is a contributed Component.

Input parameters

Parameters in boldface are required; the others are optional.
Name Unit Description Default
NumberOfQBins 200
RhoSolvent AA Scattering length density of the buffer - default is 100% D2O. 6.4e-14
Concentration mM Concentration of sample. 0.01
AbsorptionCrosssection 1/m Absorption cross section of the sample. 0.0
xwidth m Dimension of component in the x-direction.  
yheight m Dimension of component in the y-direction.  
zdepth m Dimension of component in the z-direction.  
SampleToDetectorDistance m Distance from sample to detector (for focusing the scattered neutrons).  
DetectorRadius m Radius of the detector (for focusing the scattered neutrons).  
qMin AA^-1 Lowest q-value, for which a point is generated in the scattering profile 0.001
qMax AA^-1 Highest q-value, for which a point is generated in the scattering profile 0.5
PDBFilepath "PDBfile.pdb"

Links


[ Identification | Description | Input parameters | Output parameters | Links ]

Generated automatically by McDoc, Peter Willendrup <peter.willendrup@risoe.dk> / Tue May 26 13:03:59 2020