Software development for molecular refinement


Our new method of serial crystallography often produces diffraction data from crystals under a variety of conditions, such as a time series in a time-resolved measurement of a photoactive protein. The method also gives more observables than just Bragg reflections, which could be used for structure refinement. Working in collaboration with Prof. Dušan Turk of the Joseph Stefan Institute in Slovenia, the candidate will develop software to utilise expanded diffraction datasets for the refinement of one or several molecular structures. The candidate must have proven expertise in software development and have a background in crystallography, imaging, signal processing, or similar.

The tasks of this position are to:
  • Extend existing structure refinement software for multiple-structure refinement utilising expanded diffraction datasets
  • Develop, test, and implement algorithms for the analysis of diffraction from imperfect macromolecular crystals, time-resolved measurements, and serial diffraction experiments
  • Carry out analysis and refinement of crystallographic data
  • Assist in designing and carrying out crystallography experiments
  • Communicate findings in written and oral form
The profile of the candidate:
  • A PhD in physics, optics, or similar
  • Proven expertise in software development
  • A strong background in crystallography, imaging, or signal processing • Self motivated and work well in an interdisciplinary team environment
  • Excellent interpersonal skills and a friendly nature
  • Good communication skills in English
The position is initially limited to two years. To apply, please send mail to Prof. Henry Chapman at, quoting the position CFEL2020-RF04. Please include a cover letter, CV, and list of references.