Clare Macrae

​Clare has a B.A. in Chemistry from Oxford University. She did her Part II research project in Graham Richards’ group.

She joined the CCDC in September 1987, and has been here ever since, apart from a 6-month spell at Oxford Molecular Ltd at the start of 1991.

Over the years, Clare has worked on most of the CCDC’s small-molecule-related activities, including being the original author and project manager of Mercury, the crystal structure visualisation application. She retains a keen interest in scientific visualisation. She has also been very involved in our C++ Toolkit, i.e. our in-house object-oriented crystallographic and visualisation C++ libraries, which provide the foundations for Mercury.

In the summer of 2009 Clare took over responsibility for project-managing the annual CSD System release.

Since April 2010, she has been leading our team of developers who are replacing the CCDC’s infrastructure for managing the work-flow of curating crystal structures into the CSD. This includes replacing some of the ancient systems that Clare originally worked on.

  • Mercury CSD 2.0 - New Features for the Visualization and Investigation of Crystal Structures, Macrae, C. F.; Bruno, I. J.; Chisholm, J. A.; Edgington, P. R.; McCabe, P.; Pidcock, E.; Rodriguez-Monge, L.; Taylor, R.; van de Streek J. and Wood, P. A., J. Appl. Cryst., 41, 466-470, 2008.
  • Mercury: visualization and analysis of crystal structures, Macrae, C. F.; Edgington, P. R.; McCabe, P.; Pidcock, E.; Shields, G. P.; Taylor, R.; Towler M. and van de Streek, J., J. Appl. Cryst., 39, 453-457, 2006.
  • New software for searching the Cambridge Structural Database and visualising crystal structures, Bruno, I. J., Cole, J. C.; Edgington, P. R., Kessler, M. K.; Macrae, C. F.; McCabe, P.; Pearson, J. and Taylor, R., Acta Cryst., B58, 389-397, 2002.​

Contact Information