iotbx.cif: a comprehensive CIF toolbox

• Published in: Journal of applied crystallography Vol. 44; no. 6; pp. 1259 - 1263
• Main Authors: Gildea, Richard J., Bourhis, Luc J., Dolomanov, Oleg V., Grosse-Kunstleve, Ralf W., Puschmann, Horst, Adams, Paul D., Howard, Judith A. K.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.12.2011; Blackwell Publishing Ltd
• Subjects: C++ (programming language); cctbx; chemistry; CIF; CIF applications; Computer programs; Crystallography; Format; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Interfaces; iotbx.cif; Libraries; Parsers; Software
• ISSN: 1600-5767; 0021-8898; 1600-5767
• DOI: 10.1107/S0021889811041161

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.