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.

doi:10.1107/s0021889811041161

articleJournal of Applied CrystallographyOct 28, 2011HYBRID OA

iotbx.cif : a comprehensive CIF toolbox

RJRichard J. Gildea LJLuc J. Bourhis OVOleg V. Dolomanov RWRalf W. Grosse‐Kunstleve HPHorst Puschmann

Lawrence Berkeley National Laboratory · Durham University

PubMed

Indexed incrossrefpubmed

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.

Citation impact

649

total citations

FWCI: 22.17
Percentile: 100%
References: 22

Citations per year

Authors

7

Topics & keywords

Topics

Hydrocarbon exploration and reservoir analysis98%

Keywords

Toolbox
Computer science
Programming language

No related works found for this paper.