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Implementation of the riding hydrogen model in CCTBX to support the next generation of X-ray and neutron joint refinement in Phenix

A fundamental prerequisite for implementing new procedures of atomic model refinement against neutron diffraction data is the efficient handling of hydrogen atoms. The riding hydrogen model, which constrains hydrogen atom parameters to those of the non-hydrogen atoms, is a plausible parameterization...

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Bibliografski detalji
Izdano u:Methods Enzymol
Glavni autori: Liebschner, Dorothee, Afonine, Pavel V., Urzhumtsev, Alexandre G., Adams, Paul D.
Format: Artigo
Jezik:Inglês
Izdano: 2020
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7574815/
https://ncbi.nlm.nih.gov/pubmed/32093832
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/bs.mie.2020.01.007
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