Abstract
Since its first release in 2016, the Cambridge Structural Database Python application programming interface (CSD Python API) has seen steady uptake within the community that the Cambridge Crystallographic Data Centre serves. This article reviews the history of scripting interfaces, demonstrating the need, and then briefly outlines the technical structure of the API. It describes the reach of the CSD Python API, provides a selected review of its impact and gives some illustrative examples of what scientists can do with it. The article concludes with speculation as to how such endeavours will evolve over the next decade.
Publisher
International Union of Crystallography (IUCr)
Reference101 articles.
1. Computational Discovery of Stable Metal–Organic Frameworks for Methane-to-Methanol Catalysis
2. OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors
3. Chromate Incarceration by Nanojars and Its Removal from Water by Liquid–Liquid Extraction
4. Elongation, flatness and compactness indices to characterise particle form
5. Atkins, P. W., Overton, T. L., Rourke, J. P., Weller, M. T. & Armstrong, F. A. (2010). Shriver and Atkins' Inorganic Chemistry, 5th ed. Oxford University Press.