The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective
with a mission to develop, test, distribute and promote software for macromolecular …

Data curation practices of the Crystallography Open Database (COD) are described with
additional focus being placed on the formal validation using the Crystallographic Information …

This paper introduces ISOLDE, a new software package designed to provide an intuitive
environment for high-fidelity interactive remodelling/refinement of macromolecular models …

Refinement is a process that involves bringing into agreement the structural model,
available prior knowledge and experimental data. To achieve this, the refinement procedure …

Electron diffraction is a relatively novel alternative to X-ray crystallography for the structure
determination of macromolecules from three-dimensional nanometre-sized crystals. The …

Although experimental protein-structure determination usually targets known proteins,
chains of unknown sequence are often encountered. They can be purified from natural …

Understanding published research results should be through one's own eyes and include
the opportunity to work with raw diffraction data to check the various decisions made in the …

Nowadays, progress in the determination of three-dimensional macromolecular structures
from diffraction images is achieved partly at the cost of increasing data volumes. This is due …

Three-dimensional nanometre-sized crystals of macromolecules currently resist structure
elucidation by single-crystal X-ray crystallography. Here, a single nanocrystal with a …

Modern crystallographic computing is characterized by the growing role of automated
structure-solution pipelines, which represent complex expert systems utilizing a number of …