Script for reading cif files and producing Str in jEdit

The file below is a script written in Python by Matthew Chambers in order to read .cif files and produce a suitable output in jEdit for TOPAS. The .exe was created by using pyinstaller. The initial Python script is also available for download so that it can be easily seen how the script works.

The .exe file needs to be added to your TOPAS directory. This script was created as the format for .cif files on ICSD changed such that cif1.exe no longer can detect the space group. The line:


has been changed to:


This script can read both and can easily be updated to accommodate any other formatting changes. One way it differs from cif1.exe is that the phase name is extracted from the chemical composition as opposed to the mineral name.

Add the following to your_local.insert.xml:

Personal Tools