# Difference between revisions of "Structure Similarity"

The similarity between two structures i and j is assessed on the basis of local coordination information from all sites in the two structures.

## Site Fingerprints

The similarity calculation begins with computing a crystal site fingerprint, vsite, for each site in the two structures. The fingerprint is a 12-dimensional vector in which an element at position k (e.g., 4) provides the percentage of how much the given site should be considered k-fold coordinated (i.e., w(CN=4)):

$\mathbf{v}^\mathrm{site} = [w(\mathrm{CN}=1), w(\mathrm{CN}=2), w(\mathrm{CN}=3), \dots, w(\mathrm{CN}=12)]^\mathrm{T}$

So, we are testing the coordination percentages up to 12-fold coordination.

## Authors

1. Nils Zimmermann
2. Donny Winston