Unilever Centre for Molecular Informatics University of Cambridge

CrystalEye (beta)

All data on this site is licensed under PDDL and all Open Data buttons point implicitly to the PDDL licence.


The aim of the CrystalEye project is to aggregate crystallography from web resources, and to provide methods to easily browse, search, and to keep up to date with the latest published information.

At present we are aggregating the crystallography from the supplementary data to articles at publishers websites. In the future we hope to extend this to aggregate from Institutional Repositories and also allow self deposition.

The CrystalEye system is backed by a web-spider that scours specific locations for new crystallography each day. If the spider finds new data, then it is saved to our database and is then passed through the processing part of the system. The work this performs includes (elaborated on here.):

  • Converting the crystallographic data to CML (Chemical Markup Language).
  • Generating webpages for easy browsing of the data, with 2D and 3D renderings of the structures. Below is a screenshot of the CrystalEye table of contents for an issue of Acta Crystallographic Section E.
  • Maintaining a set of RSS feeds to allow users to be automatically notified when a structure of a particular category is found. Below is a screenshot of an RSS reader displaying the feed summarizing structures containing carbon-iodine bonds.

All of the data generated is 'Open', and is signified by the appearance of the This material is Open Knowlege icon on all pages.

For more explanation of the project, see the FAQ section. Please direct all comments, suggestions and bugs to Nick Day at ned24@cam.ac.uk.