About McStas
Conditions of use
Authors/Contacts
Project funding
Download
Components
Other Downloads (share)
Documentation
Wiki (GitHub)
McStas manual
Publications
14.85 The SANSPDB McStas 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
-
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 |
|
|
|||
|
RhoSolvent |
Å |
Scattering length density of the buffer. |
9.4e-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" |
|
|
|||
|
|
|||
|
|
|||
Links
-
Component source code found in file SANSPDB.comp.
