iotbx.cif: a comprehensive CIF toolbox

iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided for input, output and validation of CIFs, as well as for interconversion with high-level cctbx [Grosse-Kunstleve, Sauter, Moriarty & Adams (2002). J. Appl. Cry...

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Detalles Bibliográficos
Autores principales: Gildea, Richard J., Bourhis, Luc J., Dolomanov, Oleg V., Grosse-Kunstleve, Ralf W., Puschmann, Horst, Adams, Paul D., Howard, Judith A. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
CIF applications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3236671/
https://www.ncbi.nlm.nih.gov/pubmed/22199401
http://dx.doi.org/10.1107/S0021889811041161
Descripción
Sumario:iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided for input, output and validation of CIFs, as well as for interconversion with high-level cctbx [Grosse-Kunstleve, Sauter, Moriarty & Adams (2002). J. Appl. Cryst. 35, 126–136] crystallographic objects. The interface to the library is written in Python, whilst parsing is carried out using a compiled parser, combining the performance of a compiled language (C++) with the benefits of using an interpreted language.

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