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Automated identification of elemental ions in macromolecular crystal structures

Many macromolecular model-building and refinement programs can automatically place solvent atoms in electron density at moderate-to-high resolution. This process frequently builds water molecules in place of elemental ions, the identification of which must be performed manually. The solvent-picking...

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Detalles Bibliográficos
Autores principales: Echols, Nathaniel, Morshed, Nader, Afonine, Pavel V., McCoy, Airlie J., Miller, Mitchell D., Read, Randy J., Richardson, Jane S., Terwilliger, Thomas C., Adams, Paul D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3975891/
https://www.ncbi.nlm.nih.gov/pubmed/24699654
http://dx.doi.org/10.1107/S1399004714001308