• Data mining bond lengths


    What is a good method for extracting a list of interatomic distances between two elements from a folder full of CIFs? The CIFs in their current format do not contain a list of bond lengths, but opening and resaving in Mercury to generate such lists isn't an option since the distances are often longer than would be considered a bond (plus that would take ages).

    I'm just wondering if anyone else has had to do this, and whether or not there might be programs/scripts that already exist for this purpose.

    Many thanks,