About McXtrace
Publications
Project Partners
Project People
Goal
Documentation
Manual
Commands
Wiki (GitHub)
Tutorial
[ Identification | Description | Input 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 Søren 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. This component is very slow. You should rather use the SAXSPDBFast sample component.
Input parameters
Parameters in boldface are required; the others are optional.| Name | Unit | Description | Default | |
| RhoSolvent | AA | 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 x-rays). | ||
| DetectorRadius | m | Radius of the detector (for focusing the scattered x-rays). | ||
| PDBFilepath | Path to the file describing the high resolution structure of the protein. | "PDBfile.pdb" |
| AT ( | , | , | ) RELATIVE | |||
|---|---|---|---|---|---|---|
| ROTATED ( | , | , | ) RELATIVE |
Links
- Source code for
SAXSPDB.comp.
[ Identification | Description | Input parameters | Links ]
Generated on mcxtrace 3.5.24
