When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related structures. Providing such information to crystallographers conveniently and quickly, as soon as the first images have been recorded and the unit cell characterized at an X-ray beamline, has the potential to save time and effort as well as pointing to possible search models for molecular replacement. Given an input unit cell, and optionally a space group,Nearest-cellrapidly scans the Protein Data Bank and retrieves near-matches.
Journal article
International Union of Crystallography (IUCr)
2012-12-01T00:00:00+00:00
68
1697 - 1700
3