Coordinate uncertainties in protein structure comparison
T. R. Schneider · Acta Crystallographica Section A Foundations of Crystallography · 2004
Validation is a key part of a modern structure determination and the availability of crystallographic data in standard (CIF) format allows for extensive automation.Tools for validation are under continuous development and this contribution will summarise some recent innovations.These include the general public service now available at checkcif.iucr.org,providing options for HTML and PDF reports, as well as a displacement ellipsoid plot.The service attracts sponsorship from leading publishers: publishers will be able to use the service to automatically check CIFs submitted to them, leading to common and improved standards.The submission and validation procedures for Sections C and E of Acta Crystallographica are being streamlined to include real-time validation and to allow interactive upload of structure factors and Figures following successful CIF submission.s9.m29.o4