Assigning secondary structure from protein coordinate data

We have developed a program to convert the three dimensional coordinates de scribing protein structure in the Brookhaven Data Bank into an assignment o f secondary structure. The program assigns secondary structure in the same way a person assigns structure visually. It uses two angles and three dista nces to assign alpha-helix, 3(10)-helix, beta-strand, hydrogen-bonded beta- turn, non-hydrogen-bonded beta-turn, and poly (L-proline) II type 3(1)-heli x. The program is concerned with amide-amide interactions and should be par ticularly useful to spectroscopists. (C) 1999 Wiley-Liss, Inc.