Note: This manual interface currently has very limited capabilities. For more extensive functionality, such as:

  • Extraction of crystal composition from PDB files
  • The use of irregular polyhedron-shaped crystals
  • Experimental beam profiles
  • SAXS or small molecule experiments
  • The inclusion of 3D photoelectron and fluorescent escape models
please instead refer to either the latest jar file release or the source code on GitHub.

Job title

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Job definition (Input file)

The full RADDOSE-3D syntax is explained in the RADDOSE-3D User Guide (PDF).