BiophysicsbioRxiv
Predicting X-ray Diffuse Scattering from Translation Libration Screw Structural Ensembles
Andrew Van Benschoten, Pavel Afonine, Thomas Terwilliger…·James Fraser
The paper introduces phenix.diffuse, a tool that calculates X-ray diffuse scattering from structural ensembles, demonstrating its application to TLS refinement in glycerophosphodiesterase GpdQ.
DOI 10.1107/s1399004715007415