ARP/wARP's model-building algorithms. I. The main chain
Top Cited Papers
- 29 May 2002
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section D-Biological Crystallography
- Vol. 58 (6) , 968-975
- https://doi.org/10.1107/s0907444902005462
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.Keywords
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