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      iotbx.cif: a comprehensive CIF toolbox

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          Abstract

          iotbx.cif is a comprehensive toolbox for the development of applications that make use of the CIF format.

          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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          Author and article information

          Journal
          J Appl Crystallogr
          J. Appl. Cryst.
          Journal of Applied Crystallography
          International Union of Crystallography
          0021-8898
          01 December 2011
          29 October 2011
          29 October 2011
          : 44
          : Pt 6 ( publisher-idID: j110600 )
          : 1259-1263
          Affiliations
          [a ]Durham University, Department of Chemistry, Durham DH1 3LE, UK
          [b ]Lawrence Berkeley National Laboratory, Physical Biosciences Division, MS 64R0121, CA 94720, USA
          Author notes
          Correspondence e-mail: rjgildea@ 123456lbl.gov
          Article
          hx5135 JACGAR S0021889811041161
          10.1107/S0021889811041161
          3236671
          22199401
          cdf1b457-3f7f-454d-b1b6-51865dfc9191
          © Richard J. Gildea et al. 2011

          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.

          History
          : 24 June 2011
          : 06 October 2011
          Categories
          CIF applications

          Analytical chemistry
          iotbx.cif,cctbx,computer programs,cif
          Analytical chemistry
          iotbx.cif, cctbx, computer programs, cif

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