Skip to content

RADDOSE-3D v3.0.800
Compare
Choose a tag to compare
@jdickerson95 jdickerson95 released this 14 Aug 14:19
· 252 commits to master since this release
v3.0.800
b9d4947

This is a new major release of RADDOSE-3D with many new features.
Most notably, it enables the user to simulate photoelectrons produced from within the crystal and also specify a surrounding material and simulate photoelectrons entering the crystal form the surrounding volume.
Other notable features include:

  • The ability to account for the escape of fluorescent photons, significant when heavy elements are present in the crystal
  • Compton scattering is now calculated, improving dose accuracy for incident beam energies over 20 keV
  • RADDOSE-3D has been adapted so it can be used for small molecule X-ray crystallography
  • Define a beam with circular or elliptical collimation
  • Quickly specify number of carbohydrate residues for glycosylated proteins
  • Minor bug fixes when using FASTA files
Assets 4
Loading