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McXtrace - An X-ray ray-trace simulation package

Synchrotron SOLEIL DTU Physics

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McXtrace: SAXSPDB

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

The SAXSPDB 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 Soren Kynde (kynde@nbi.dk)
  • Origin: KU-Science
  • Date: May 2, 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.
NameUnitDescriptionDefault
RhoSolventAAScattering length density of the buffer.9.4e-14
ConcentrationmMConcentration of sample.0.01
AbsorptionCrosssection1/mAbsorption cross section of the sample.0.0
xwidthmDimension of component in the x-direction.
yheightmDimension of component in the y-direction.
zdepthmDimension of component in the z-direction.
SampleToDetectorDistancemDistance from sample to detector (for
DetectorRadiusmRadius of the detector (for focusing the
PDBFilepathPath to the file describing the high resolution"PDBfile.pdb"

Output parameters

Parameters in boldface are required; the others are optional.
NameUnitDescriptionDefault
Absorption
NumberDensity
OrderOfHarmics
Matrix
NumberOfResidues
Protein

Links


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

Generated on 2022-02-07 21:31:39


Last Modified: Wednesday, 11-May-2022 22:46:11 CEST
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