X-ray crystallography is a critical tool in the study of biological systems. It is able to provide
information that has been a prerequisite to understanding the fundamentals of life. It is also a …

The execution and analysis of complex experiments are challenged by the vast dimensionality
of the underlying parameter spaces. Although an increase in data-acquisition rates …

Macromolecular X-ray crystallography is routinely applied to understand biological processes
at a molecular level. However, significant time and effort are still required to solve and …

phenix.refine is a program within the PHENIX package that supports crystallographic structure
refinement against experimental data with a wide range of upper resolution limits using a …

The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure
refinement and density modification using RESOLVE model building, RESOLVE statistical …

Estimates of the quality of experimental maps are important in many stages of structure
determination of macromolecules. Map quality is defined here as the correlation between a map …

A robust CFD methodology for predicting three-dimensional flows with extensive cavitation is
presented. The model is based on the multiphase flow equations, with mass transfer due to …

Significant time and effort are often required to solve and complete a macromolecular crystal
structure. The development of automated computational methods for the analysis, solution, …

This report presents the conclusions of the X-ray Validation Task Force of the worldwide
Protein Data Bank (PDB). The PDB has expanded massively since current criteria for validation …

Intense femtosecond x-ray pulses produced at the Linac Coherent Light Source (LCLS) were
used for simultaneous x-ray diffraction (XRD) and x-ray emission spectroscopy (XES) of …