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McStas: SANSPDBFast Component

[ 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

  • Author: Martin Cramer Pedersen (mcpe@nbi.dk) and Søren Kynde (kynde@nbi.dk)
  • Origin: KU-Science
  • Date: October 17, 2012
  • Version:(Unknown)

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> / Mon Jun 26 12:27:17 2017


Last Modified: Monday, 26-Jun-2017 14:27:17 CEST
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