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. 2002 Jun;58(Pt 6 Pt 2):968-75.
doi: 10.1107/s0907444902005462. Epub 2002 May 29.

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

Richard J Morris  1 , Anastassis Perrakis, Victor S Lamzin
Affiliations

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

Richard J Morris et al. Acta Crystallogr D Biol Crystallogr. 2002 Jun.

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.

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