CIFXML: a schema and toolkit for managing CIFs in XML

Abstract

CIFXML applies the XML strategies and technologies to create a general interface for processing CIF documents that conform to the CIF syntax and DDL1. Both a DTD and an XML schema for CIFs are presented. CIFs can be read, edited, validated syntactically, sorted, normalized, filtered, stored as an XML document object model, transformed and output. CIFXOM provides an easy way of converting CIFs to XML and vice versa using Java.

FFMDFPA: A FAIRification Framework for Materials Data with No-Code Flexible Semi-Structured Parser and Application Programming Interfaces

“…There are several examples of parsers in computational materials science. Taking Crystallographic Information File (CIF), for instance, many tools have been developed for manipulating this single file, − but even now the process is challenging . The various text files generated by codes like VASP also require software tools to extract data from them.…”

A portable general-purpose application programming interface for CIF 2.0

“…An experimental program, cif_linguist, accompanies the CIF API and is built upon it. This program performs translation between several dialects of CIF, including from CIF 1.1 to CIF 2.0 and vice versa, and a future version will also translate CIF data to STAR 2.0 format and to and from CIFXML (Day et. al., 2011).…”

CrystalEye: automated aggregation, semantification and dissemination of the world's open crystallographic data

“…CrystalEye was first created as a by-product of a thesis (Day, 2009). The primary purpose of the thesis was to investigate whether semiempirical calculations (e.g.…”

“…In the initial stage of the semantification process ( Fig. 3), the downloaded CIFs are read using CIFXOM and converted into the XML-based CIFXML representation (Day et al, 2011). CIFXOM is based on the SAX parser/handler model, and is able to correct many common formatting errors and convert the potentially malformed CIFs into syntactically guaranteed XML.…”