@charliebury charliebury released this Jan 16, 2018 · 95 commits to master since this release

Assets 4

This is an update on the previous version (v2.0.0) of RADDOSE-3D (including SAXS), to include several fixes:

  • The ability to read PDB files for crystal composition has been modified to account for the new URL location of such files
  • The user can also use a PDB file stored anywhere locally by entering the file path instead of a PDB code
  • The ability to retrieve absorption information from online NIST tables has been modified to account for the URL for such information
  • Minor bug fixes