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Validation of the Crystallography Open Database using the Crystallographic Information Framework.
Vaitkus, Antanas; Merkys, Andrius; Grazulis, Saulius.
Afiliação
  • Vaitkus A; Department of Protein-DNA Interactions, Institute of Biotechnology, Life Sciences Center, Vilnius University, Sauletekio al. 7, LT-10257, Vilnius, Lithuania.
  • Merkys A; Department of Protein-DNA Interactions, Institute of Biotechnology, Life Sciences Center, Vilnius University, Sauletekio al. 7, LT-10257, Vilnius, Lithuania.
  • Grazulis S; Department of Protein-DNA Interactions, Institute of Biotechnology, Life Sciences Center, Vilnius University, Sauletekio al. 7, LT-10257, Vilnius, Lithuania.
J Appl Crystallogr ; 54(Pt 2): 661-672, 2021 Apr 01.
Article em En | MEDLINE | ID: mdl-33953659
Data curation practices of the Crystallography Open Database (COD) are described with additional focus being placed on the formal validation using the Crystallographic Information Framework (CIF). The cif_validate program, capable of validating CIF files against both the DDL1 and the DDLm dictionaries, is presented and used to process the entirety of the COD. Validation results collected from over 450 000 CIF files are demonstrated to be a useful resource in the data maintenance process as well as the development of the underlying ontologies. A set of programs intended to aid in the dictionary migration from DDL1 to DDLm is also presented.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article