Chapter 21.2 Assessing the quality of macromolecular structures

Abstract

In this chapter, an overview is presented of the different types of validation procedures applied to proteins and nucleic acids. An approach to model validation based on atomic volumes embodied in the program PROVE is illustrated in some detail and the package SFCHECK, which combines a set of criteria for evaluating the quality of the experimental data and the agreement of the model with the data, is described. Keywords: SFCHECK; atomic resolution; coordinate errors; environment profiles; errors; knowledge-based interaction potentials; scaling; standard atomic volumes; structure validation