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).
Author: Martin Cramer Pedersen (firstname.lastname@example.org) and Søren Kynde (email@example.com)
Date: October 17, 2012
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.
Parameters in boldface are required;
the others are optional.
Scattering length density of the buffer - default is 100% D2O.
Concentration of sample.
Absorption cross section of the sample.
Dimension of component in the x-direction.
Dimension of component in the y-direction.
Dimension of component in the z-direction.
Distance from sample to detector (for focusing the scattered neutrons).
Radius of the detector (for focusing the scattered neutrons).
Lowest q-value, for which a point is generated in the scattering profile
Highest q-value, for which a point is generated in the scattering profile