ARP/wARP's model-building algorithms. I. The main chain.
نویسندگان
چکیده
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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ورودعنوان ژورنال:
- Acta crystallographica. Section D, Biological crystallography
دوره 58 Pt 6 Pt 2 شماره
صفحات -
تاریخ انتشار 2002