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

Algorithms underlying the automatic model‐building functionality of the ARP/wARP software suite are presented. Finding the most likely set of Cα 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 matc...

Celý popis

Uloženo v:
Podrobná bibliografie
Vydáno v:Acta crystallographica. Section D, Biological crystallography. Ročník 58; číslo 6-2; s. 968 - 975
Hlavní autoři: Morris, Richard J., Perrakis, Anastassis, Lamzin, Victor S.
Médium: Journal Article
Jazyk:angličtina
Vydáno: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Munksgaard International Publishers 01.06.2002
Témata:
Algorithms
ARP/wARP
Automation
model-building algorithms
Protein Conformation
Proteins - chemistry
Software
ISSN:1399-0047, 0907-4449, 1399-0047
On-line přístup:Získat plný text
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
Popis
Shrnutí:Algorithms underlying the automatic model‐building functionality of the ARP/wARP software suite are presented. Finding the most likely set of Cα 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.
Bibliografie:istex:403DA01B4725A84A41859EC72F0BC6FDCB763602
ArticleID:AYDAD0170
ark:/67375/WNG-K6P0F44S-M
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1399-0047
0907-4449
1399-0047
DOI:10.1107/S0907444902005462