Identifying residues using 3D coordinates: an application of multiple APIs
G.G. Darakev, I. Awuah Asiamah, G. McQuillan, N. Darakev, M. Fierro, Jongtae Ihm · Acta Crystallographica Section A Foundations of Crystallography · 2008
After about eight years of very active development, the Computational Crystallography Toolbox (cctbx) has evolved into a large collection of reusable, open source libraries covering many aspects of crystallography.The cctbx has roots in both smallmolecule crystallography and macro-molecular crystallography and is used in both fields.The cctbx libraries are organized in a hierarchy of modules.It is possible to use subsets of the modules independently of other modules that may not be required for certain applications.We will present an overview of the cctbx architecture and the underlying software technology that has enabled the sustained growth of the libraries.