Keith S. Wilson

TL;DR: An overview of the CCP4 software suite for macromolecular crystallography is given.

TL;DR: The CCP4 molecular-graphics program now uses the Qt framework to provide a modern look and feel and there are many new features including rendering for publication-quality images and sequence alignment.

TL;DR: It is proposed that the structural-biology community adopts the ®n to ­n subsite nomenclature widely used by molecular enzymologists, which must indicate the position of the subsites relative to the point of cleavage and must not change the subsite labelling when new complexes, with extra sugar units at either the reducing or the non-reducing end, become known.

TL;DR: All the tests show that anisotropic refinement not only reduces the R value and Rfree but also improves the fit to geometric targets, indicating that this parameterization is valuable for improving models derived from experimental data.

TL;DR: An automated refinement procedure (ARP) for protein models is proposed, and its convergence properties discussed, which are comparable to the iterative least-squares minimization/difference Fourier synthesis approach for small molecules.