Literature DB >> 12037299

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

Richard J Morris1, Anastassis Perrakis, Victor S Lamzin.   

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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Year:  2002        PMID： 12037299     DOI： 10.1107/s0907444902005462

Source DB:  PubMed          Journal:  Acta Crystallogr D Biol Crystallogr        ISSN： 0907-4449


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