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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Detalles Bibliográficos
Autores principales: Gruene, Tim, Hahn, Hinrich W., Luebben, Anna V., Meilleur, Flora, Sheldrick, George M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3937812/
https://www.ncbi.nlm.nih.gov/pubmed/24587788
http://dx.doi.org/10.1107/S1600576713027659

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3937812/
https://www.ncbi.nlm.nih.gov/pubmed/24587788
http://dx.doi.org/10.1107/S1600576713027659

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