title: ARP/wARP's model-building algorithms. I. The main chain.
abstract: 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.
authors.affiliation: EMBL Hamburg c/o DESY, Notkestrasse 85, D-22603 Hamburg, Germany.
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Morris
authors.forename: Anastassis
authors.initials: A
authors.lastname: Perrakis
authors.forename: Victor S
authors.initials: VS
authors.lastname: Lamzin
mesh_terms: D000465:Algorithms; D001331:Automation; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D012984:Software
chemical_list: D011506:Proteins