Single Crystal Neutron Diffraction
For a few years I have been interested in single crystal neutron diffraction. My current efforts try to start and establish a research group working on processing of diffraction images that stem from such experiments.
I have given several talks on neutron diffraction.
Crystallography beyond automation
The article Refinement of Macromolecular Structures against Neutron Data with SHELXL-2013 is a first result from this direction.
Other than neutron diffraction I am interested in crystallography where it becomes demanding, as in the building and refinement of the yeast RNA polymerase I.
The tool mrtailor is one result that came out of this project.
Another project in this direction is the Complete Cross-Validation in Crystallography> which, after more than 20 years, has now become feasible with modern computers.
- Refinement against Neutron Data with shelxl
- Complete Cross-Validation in Crystallography
- Nucleic Acid Tracing
- mtz2sca V0.3
- mtz2hkl V0.3
Last modified: Apr 17, 2015 09:14