Crystallographic Information Framework

Xtools

Description

Four programs, written in Fortran, are intended to support the development and maintenance of STAR data dictionaries written in the dictionary language DDLm.

Distribution

Status

This version was developed in 2013 as a demonstrator and toolbox for attendees at the COMCIFS Workshop in Coventry, UK. Note: it is not fully compatible with the adopted DDLm syntax and attribute used in current dictionaries (2025). 

Language and platform

The software is written in Fortran and should compile and run in a command-line environment on any common operating system with a Fortran compiler.

Documentation

  • Installation: Copy the gzipped tar file Xtools.tgz into an empty directory; uncompress and extract files using the Unix tar utility. Two subdirectories are created: Xtools, which contains source files, sample shell files to demonstrate how to use the compiled binaries, example input and output files, and documentation; and Dics, which contains sample dictionaries in an early development STAR DDLm version.
    Example compilation:
     cd ./Xtools/Xtools/src
    gfortran -std=legacy -o tagxref.x tagxref.f

Terms and conditions of use

Author: S. R. Hall.

The software is distributed here under the standard terms and conditions of use applying to software associated with International Tables for Crystallography Volume G. Queries concerning any other use should be directed to sydney hall@uwa.edu.au.

References

Spadaccini, N. & Hall, S. R. (2012). Extensions to the STAR File Syntax. J. Chem. Inf. Model. 52, 1901‐1906.

Spadaccini, N. & Hall, S. R. (2012). DDLm: A New Dictionary Definition Language. J. Chem. Inf. Model. 52, 1907‐1916.

Spadaccini, N., Castleden, I. R., du Boulay, D. & Hall, S. R. (2012). dREL Relational Expression Language for Dictionary Methods. J. Chem. Inf. Model. 52, 1917‐1925.