[ Identification | Description | Input 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

- 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 |  | Number of points generated in initalscattering profile. | 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 |  | Path to the file describing the high resolution structure of the protein. | "PDBfile.pdb" |

AT ( | , | , |  | ) RELATIVE |  |
ROTATED ( | , | , |  | ) RELATIVE |

## Links

- Source code for `SANSPDBFast.comp`.

[ Identification | Description | Input parameters | Links ]