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Update README.md
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Added new citation and updated email address
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jdickerson95 authored Jun 28, 2024
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Expand Up @@ -17,7 +17,7 @@ imaging real experimental X-ray beam profiles.
Brought to you by the Garman Lab at the University of Oxford.
http://www.bioch.ox.ac.uk/garmangroup

If you have any questions on how to run RADDOSE-3D or would like advice on what inputs to use please email [email protected].
If you have any questions on how to run RADDOSE-3D or would like advice on what inputs to use please email [email protected].

Usage
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Expand Down Expand Up @@ -151,6 +151,9 @@ Contributors:
The original RADDOSE-3D publication is:
- Zeldin, O. B., Gerstel, M., & Garman, E. F. (2013). RADDOSE-3D : time- and space-resolved modelling of dose in macromolecular crystallography. Journal of Applied Crystallography, 46, 1225–1230. https://doi.org/10.1107/S0021889813011461

RADDOSE-3D version 5 now includes a new program to estimate doses for electron diffraction experiments, RADDOSE-ED. We also now include dose decay models and a new GUI:
- Dickerson, J. L., McCubbin P. T. N, Brooks-Bartlett J. C., Garman E. F.. Doses for X-ray and electron diffraction: New features in RADDOSE-3D including intensity decay models. Protein Science. 2024;33(7):e5005. https://doi.org/10.1002/pro.5005

We now have a new publication on updates to RADDOSE-3D in the period 2014 - 2017:
- Bury, C. S., Brooks‐Bartlett, J. C., Walsh, S. P. and Garman, E. F. (2018), Estimate your dose: RADDOSE‐3D. Protein Science, 27, 217-228. https://doi.org/10.1002/pro.3302

Expand All @@ -170,3 +173,5 @@ If there are heavy atoms present in the sample, it may be more accurate to simul
- Fernando, N. K., Cairns, A. B., Murray, C. A., Thompson, A. L., Dickerson, J. L., Garman, E. F., … Regoutz, A. (2021). Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]2 Catalysts. The Journal of Physical Chemistry A, 125(34), 7473–7488. doi:10.1021/acs.jpca.1c05759




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