Gary J. Kapral

TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.

TL;DR: MolProbity structure validation will diagnose most local errors in macromolecular crystal structures and help to guide their correction.

TL;DR: PHENIX has been developed to provide a comprehensive system for macromolecular crystallographic structure solution with an emphasis on the automation of all procedures.

TL;DR: MolProbity is a general-purpose web server offering quality validation for 3D structures of proteins, nucleic acids and complexes that provides detailed all-atom contact analysis of any steric problems within the molecules as well as updated dihedral-angle diagnostics.

TL;DR: MolProbity is the authors’ contribution to helping solve the problem of local errors in X-ray crystallography and this chapter reviews its general capabilities, reports on recent enhancements and usage, and presents evidence that the resulting improvements are now beneficially affecting the global database.