A crystallographic cell is a representation of a lattice, but each lattice can be represented just as well by any of an infinite number of such unit cells. Searching for matches to an experimentally determined crystallographic unit cell in a large collection of previously determined unit cells is a useful verification step in synchrotron data collection and can be a screen for "similar" substances, but it is more useful to search for a match to the lattice represented by the experimentally determined cell. For identification of substances with small cells, a unit cell match may be sufficient for unique identification. For macromolecular crystallography such a search can be helpful in doing molecular replacement.
Features
- Support for L1, L1, NCDist, V7, S6Dist and DC7unsrt searches