ARP/wARP's model-building algorithms. I. The main chain.
Algorithms underlying the automatic model-building functionality of the ARP/wARP software suite are presented. Finding the most likely set of Calpha atoms from a given set of atoms is formulated as a constrained integer programming problem. The objective function is a density-weighted score for the match between observed and expected chain conformation. Graph-search algorithms are presented that find solutions to this problem in an efficient manner.
Morris
Richard J
RJ
EMBL Hamburg c/o DESY, Notkestrasse 85, D-22603 Hamburg, Germany.
Perrakis
Anastassis
A
Lamzin
Victor S
VS
D000465:Algorithms; D001331:Automation; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D012984:Software
D011506:Proteins