Assets 4

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
Aug 10, 2018
Made ciruclar colliamtion clearer in user guide

@charliebury charliebury released this Jan 16, 2018 · 82 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

@JonnyCBB JonnyCBB released this Jan 2, 2017 · 242 commits to master since this release

Assets 3

This is a new major release of RADDOSE-3D with many new features. Most notably it enables the user to simulate SAXS experiments.
Other notable improvements

  • dedicated cylindrical geometry definition.
  • ability to read composition directly from FASTA formatted sequence files
  • define a container in which a sample is housed.

@Anthchirp Anthchirp released this Dec 18, 2014 · 373 commits to master since this release

Assets 4

Several improvments to functionality have been incorporated into RADDOSE-3D version 1.2.427 The absorption coefficient calculation is more accurate then in previous versions, particularly for structures containing nucleic acids. The options for the user has increased allowing more flexibility with the dose calculations. The user guide has been updated accordingly and can be found below and in the 'doc' folder of the release.

RADDOSE-3D can be run from the command line using the command:
java -jar raddose3d.jar -?
This will show the command line options available for running RADDOSE-3D. The simplest way to use RADDOSE-3D is to create a single file containing the entire experiment. Then it can be run using the command:
java -jar raddose3d.jar -i Location/Of/ExperimentFile.txt

This release is based on v1.2.415 and includes the updated user guide and a few minor bugfixes.

@Anthchirp Anthchirp released this Dec 9, 2014 · 385 commits to master since this release

Assets 3

Several improvments to functionality have been incorporated into RADDOSE-3D version 1.2.415. The absorption coefficient calculation is more accurate then in previous versions, particularly for structures containing nucleic acids. The options for the user has increased allowing more flexibility with the dose calculations. The user guide has been updated accordingly which can be accessed from here: http://www.raddo.se/rd3d/RD3D-User-Guide.pdf.

RADDOSE-3D can be run from the command line using the command:
java -jar raddose3d.jar -?
This will show the command line options available for running RADDOSE-3D. The simplest way to use RADDOSE-3D is to create a single file containing the entire experiment. Then it can be run using the command:
java -jar raddose3d.jar -i Location/Of/ExperimentFile.txt