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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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
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author Gildea, Richard J.
Bourhis, Luc J.
Dolomanov, Oleg V.
Grosse-Kunstleve, Ralf W.
Puschmann, Horst
Adams, Paul D.
Howard, Judith A. K.
author_facet Gildea, Richard J.
Bourhis, Luc J.
Dolomanov, Oleg V.
Grosse-Kunstleve, Ralf W.
Puschmann, Horst
Adams, Paul D.
Howard, Judith A. K.
author_sort Gildea, Richard J.
collection PubMed
description 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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spelling pubmed-32366712011-12-23 iotbx.cif: a comprehensive CIF toolbox Gildea, Richard J. Bourhis, Luc J. Dolomanov, Oleg V. Grosse-Kunstleve, Ralf W. Puschmann, Horst Adams, Paul D. Howard, Judith A. K. J Appl Crystallogr CIF applications 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. International Union of Crystallography 2011-12-01 2011-10-29 /pmc/articles/PMC3236671/ /pubmed/22199401 http://dx.doi.org/10.1107/S0021889811041161 Text en © Richard J. Gildea et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle CIF applications
Gildea, Richard J.
Bourhis, Luc J.
Dolomanov, Oleg V.
Grosse-Kunstleve, Ralf W.
Puschmann, Horst
Adams, Paul D.
Howard, Judith A. K.
iotbx.cif: a comprehensive CIF toolbox
title iotbx.cif: a comprehensive CIF toolbox
title_full iotbx.cif: a comprehensive CIF toolbox
title_fullStr iotbx.cif: a comprehensive CIF toolbox
title_full_unstemmed iotbx.cif: a comprehensive CIF toolbox
title_short iotbx.cif: a comprehensive CIF toolbox
title_sort iotbx.cif: a comprehensive cif toolbox
topic CIF applications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3236671/
https://www.ncbi.nlm.nih.gov/pubmed/22199401
http://dx.doi.org/10.1107/S0021889811041161
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