Calculation of spatial restraints

This Chapter explains how the restraints are represented in a restraint file and also describes commands for reading, writing, generating, and manipulating restraints. See Section 5.3 for equations defining the restraints and their derivatives with respect to atomic positions. See Section 3.6 for commands for calculating the objective function and Section 5.2 for optimization methods. See the original papers for the most detailed definition and description of the restraints [Šali & Blundell, 1993,Šali & Overington, 1994].