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Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):968-75. Epub 2002 May 29.

ARP/wARP's model-building algorithms. I. The main chain.

Author information

1
EMBL Hamburg c/o DESY, Notkestrasse 85, D-22603 Hamburg, Germany.

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.

PMID:
12037299
DOI:
10.1107/s0907444902005462
[Indexed for MEDLINE]

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