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Refinement of macromolecular structures against neutron data with SHELXL2013

Some of the improvements in SHELX2013 make SHELXL convenient to use for refinement of macromolecular structures against neutron data without the support of X-ray data. The new NEUT instruction adjusts the behaviour of the SFAC instruction as well as the default bond lengths of the AFIX instructions....

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Detalhes bibliográficos
Main Authors: Gruene, Tim, Hahn, Hinrich W., Luebben, Anna V., Meilleur, Flora, Sheldrick, George M.
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2013
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3937812/
https://ncbi.nlm.nih.gov/pubmed/24587788
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S1600576713027659
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