Root-mean-square deviation of atomic positions

Root-mean-square deviation (RMSD) of atomic positions is a statistical measure used to quantify the differences between two sets of atomic coordinates, typically in the context of molecular modeling, computational chemistry, and structural biology. It is often used to assess the similarity between a predicted structure (e.g., from molecular dynamics simulations or modeling) and a reference structure (e.g., an experimentally determined structure like an X-ray crystal structure).