20 lines
1.2 KiB
Plaintext
20 lines
1.2 KiB
Plaintext
#%Module1.0
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module-whatis "Xtrapol8 is software for the structure determination of low-occupancy states in crystallography"
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module-url "https://github.com/ElkeDeZitter/Xtrapol8"
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module-license "MIT license"
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module-maintainer "Greta Assmann - greta.assmann@psi.ch"
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module-help "
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Xtrapol8 is software for the calculation of Fourier difference maps, extrapolated structure factors and estimation of the occupancy of at triggered state that occupies the crystal
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at low occupancy. It is based on the cctbx toolbox and uses some CCP4 programs. In order to run Xtrapol8, you will need to have a proper licence for Phenix and CCP4 and have both
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software suites installed. Please use Phenix 1.19 or higher.
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An introduction into Fourier difference maps, structure factor extrapolation and the software itself can be found on the youtube channel of CCP4 (https://www.youtube.com/watch?v=H
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21L3-M_ge4)
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If Xtrapol8 was useful in your project, please cite us: De Zitter, E., Coquelle, N., Oeser, P., Barends, T. R. M., Colletier, J.-P., Xtrapol8 enables automatic elucidation of low-
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occupancy intermediate-states in crystallographic studies, Communications Biology, 5(1):640, 2022. (https://www.nature.com/articles/s42003-022-03575-7)
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"
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