[ Identification | Description | Input parameters | Links ]

The SANSPDB Component

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

Identification

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

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.

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.	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).
PDBFilepath		Path to the file describing the high resolution structure of the protein.	"PDBfile.pdb"

AT (	,	,		) RELATIVE		Generate
ROTATED (	,	,		) RELATIVE

Links

• Source code for SANSPDB.comp.

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[ Identification | Description | Input parameters | Links ]

Generated on 2025-05-08 13:31:31

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Last Modified: Thursday, 08-May-2025 13:32:08 CEST