Mastering the LORE of protein structure

Abstract

A detailed description of the design, operation and capabilities of LORE, a protein-database management tool to supplement more traditional protein map-fitting and model-building programs, is presented. The program includes elements for searching the library of known crystal structures for substructures of similar geometry. Substructures may be as simple as a single hairpin turn, or as complicated as an assembly of different elements of secondary structure. The programs also include elements for manipulating structural segments in complex ways to enable a sophisticated molecular editing capability of enormous utility in modeling and structure-refinement applications.