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Iotbx.cif: a Comprehensive CIF Toolbox

Overview
Journal J Appl Crystallogr
Date 2011 Dec 27
PMID 22199401
Citations 610
Authors
Richard J Gildea
Luc J Bourhis
Oleg V Dolomanov
Ralf W Grosse-Kunstleve
Horst Puschmann
Paul D Adams
Judith A K Howard
Affiliations
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Abstract

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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