Return to Main Documents Page

Crysol

Calculates X-ray scattering profiles of proteins and nucleic acids from input structures.


Accessibility

The Cryson module is accessible from the Calculate section of the main menu.


Basic Usage

The purpose of the module is calculate X-ray scattering profiles from a user supplied structure file. It is configured to handle trajectory input files (DCD or PDB).

Complete usage notes can be found at the EMBL site for Crysol.


Notes


Screen Shots and Description of Input Fields


This example calcualtes a SAXS profile for hiv1 GAG protein.


inline image



Example Output

inline image

The output will indicate the number of processed frames and the location of the scattering profiles.

Results will be written to a new directory within the given "run name". For example, in the figure it is noted that the structures and dimensions were saved files within the current project directory within the chosen "run name" directory:


./run_0/crysol/  

Visualization

None


Files Used and Created in Example


Limitations

Source code is not accessible to troubleshoot usage and physical details of the calculator.


Reference(s) and Citations

  1. CRYSOL – a Program to Evaluate X-ray Solution Scattering of Biological Macromolecules from Atomic Coordinates D. I. Svergun D.I., C. Barberato, M. H. J. Koch, J. Appl. Cryst. 28, 768-773 (1995). BIBTeX, EndNote, Plain Text

  2. SASSIE: A program to study intrinsically disordered biological molecules and macromolecular ensembles using experimental scattering restraints J. E. Curtis, S. Raghunandan, H. Nanda, S. Krueger, Comp. Phys. Comm. 183, 382-389 (2012). BIBTeX, EndNote, Plain Text


Return to Calculate

Return to Main Documents Page

Go to top