RADDOSE-3D - define a new job manually
We have added some tips for running RADDOSE-3D, which should help for cases when the default values will give misleading/null results.
RADDOSE-3D version 1.2.467 fixes an issue that caused the program to crash if heavy atoms in the solvent were not specified.
Several improvments to functionality have been incorporated into RADDOSE-3D version 1.2.415. The absorption coefficient calculation is more accurate, particularly for structures containing nucleic acids.
Together with our paper Predicting the X-ray lifetime of protein crystals we released RADDOSE-3D version 1.1.1000, the first version to support Diffraction Weighted Dose (DWD).
RADDOSE-3D version 1.0.994 fixes an issue that caused a single misplaced minus sign in large CSV outputs.
We have just released RADDOSE-3D version 1.0.989. This version uses a more accurate algorithm to identify the TAD-95 dose quantile, especially in very low or high dose regimes.