title: Nearest-cell: a fast and easy tool for locating crystal matches in the PDB.
abstract: 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-cell rapidly scans the Protein Data Bank and retrieves near-matches.
authors.affiliation: The Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Oxford, England. varun@strubi.ox.ac.uk
authors.forename: V
authors.initials: V
authors.lastname: Ramraj
authors.forename: G
authors.initials: G
authors.lastname: Evans
authors.forename: J M
authors.initials: JM
authors.lastname: Diprose
authors.forename: R M
authors.initials: RM
authors.lastname: Esnouf
mesh_terms: D000465:Algorithms; D018360:Crystallography, X-Ray; D030562:Databases, Protein; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins