• Script to Combine CIF files

    Enclosed is a simple piece of Python script to combine a large number of CIF files into a single file. This can be useful for publication submission, data mining etc. The is especially useful for people using Windows platforms.

    The script is based on an example listed on the website stackoverflow

    You can run it as follows;

    1. Create a folder. Copy the script and all of the CIF files you wish to combine to that folder.

    2. Double click on the script and it will combine all files in the folder with  a .cif extension.

    3. The output file will begin with the prefix all_<numbers>.cif


    Note, if you run the script more than once in the same folder it will combine the already created combined CIF files as well as the original CIF files.


  • RE: Welcome to this forum. Please introduce yourself.

    I'm Shyam and I also work at the CCDC in the Materials Science team. My background is in computational and solid state chemistry. I really like the idea of developing a community of CSD Python users.