CRYSON

CRYSON is a program for evaluating the solution scattering from macromolecules with known atomic structure and fitting it to experimental scattering curves from Small-Angle Neutron Scattering (SANS). As an input one can use a PDB file with an X-ray or NMR structure of a protein or a protein-DNA(RNA) complex. The program uses multipole expansion of the scattering amplitudes to calculate the spherically averaged scattering pattern and takes into account the hydration shell, D2O fraction as well as perdeuteration fraction for individual molecule. Given SANS experimental data, CRYSON can fit the theoretical scattering curve by minimizing the discrepancy (chi-square value). CRYSON smears the theoretical curves using the resolution function to take the instrumental distortion into account.

 

Running cryson Usage:

 

$> cryson [PDBFILE] [EXPDATA] [ILLRES] [OPTIONS]