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Bury CS, Brooks-Bartlett JC, Walsh SP, et al. Estimate your dose: RADDOSE-3D. Protein Sci. 2017;27(1):217-228doi: 10.1002/pro.3302.
Bury, C. S., Brooks-Bartlett, J. C., Walsh, S. P., & Garman, E. F. (2018). Estimate your dose: RADDOSE-3D. Protein science : a publication of the Protein Society, 27(1), 217-228. https://doi.org/10.1002/pro.3302
Bury, Charles S, et al. "Estimate your dose: RADDOSE-3D." Protein science : a publication of the Protein Society vol. 27,1 (2018): 217-228. doi: https://doi.org/10.1002/pro.3302
Bury CS, Brooks-Bartlett JC, Walsh SP, Garman EF. Estimate your dose: RADDOSE-3D. Protein Sci. 2018 Jan;27(1):217-228. doi: 10.1002/pro.3302. Epub 2017 Nov 06. PMID: 28921782; PMCID: PMC5734275.
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Protein Sci. 2018 Jan;27(1):217-228. doi: 10.1002/pro.3302. Epub 2017 Nov 06.

Estimate your dose: RADDOSE-3D.

Protein science : a publication of the Protein Society

Charles S Bury, Jonathan C Brooks-Bartlett, Steven P Walsh, Elspeth F Garman

Affiliations

  1. Department of Biochemistry, South Parks Road, Oxford, OX1 3QU, United Kingdom.

PMID: 28921782 PMCID: PMC5734275 DOI: 10.1002/pro.3302

Abstract

We present the current status of RADDOSE-3D, a software tool allowing the estimation of the dose absorbed in a macromolecular crystallography diffraction experiment. The code allows a temporal and spatial dose contour map to be calculated for a crystal of any geometry and size as it is rotated in an X-ray beam, and gives several summary dose values: among them diffraction weighted dose. This allows experimenters to plan data collections which will minimize radiation damage effects by spreading the absorbed dose more homogeneously, and thus to optimize the use of their crystals. It also allows quantitative comparisons between different radiation damage studies, giving a universal "x-axis" against which to plot various metrics.

© 2017 The Protein Society.

Keywords: absorption coefficients; beam profile; diffraction weighted dose; dose; radiation damage

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