Merkys Andrius, Vaitkus Antanas, Butkus Justas, Okulič-Kazarinas Mykolas, Kairys Visvaldas, Gražulis Saulius
Vilnius University Institute of Biotechnology, Graiciuno 8, LT-02241 Vilnius, Lithuania.
Time.ly Network Inc., 2nd Floor, 607 Front Street, Nelson, British Columbia, Canada V1L 4B6.
J Appl Crystallogr. 2016 Feb 1;49(Pt 1):292-301. doi: 10.1107/S1600576715022396.
A syntax-correcting CIF parser, , is presented that can parse CIF 1.1 files and accurately report the position and the nature of the discovered syntactic problems. In addition, the parser is able to automatically fix the most common and the most obvious syntactic deficiencies of the input files. Bindings for Perl, C and Python programming environments are available. Based on , the package for manipulating the CIFs in the Crystallography Open Database (COD) has been developed. The package has been successfully used for continuous updates of the data in the automated COD data deposition pipeline, and to check the validity of COD data against the IUCr data validation guidelines. The performance, capabilities and applications of different parsers are compared.
提出了一种语法校正CIF解析器，它可以解析CIF 1.1文件，并准确报告发现的句法问题的位置和性质。此外，该解析器能够自动修复输入文件中最常见和最明显的句法缺陷。提供了针对Perl、C和Python编程环境的绑定。基于此，已经开发了用于在晶体学开放数据库（COD）中处理CIF的包。该包已成功用于自动COD数据沉积管道中数据的持续更新，并根据国际晶体学联盟（IUCr）数据验证指南检查COD数据的有效性。比较了不同解析器的性能、功能和应用。
