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Modelling prior distributions of atoms for macromolecular refinement and completion.

Abstract:

Until modelling is complete, macromolecular structures are refined in the absence of a model for some of the atoms in the crystal. Techniques for defining positional probability distributions of atoms, and using them to model the missing part of a macromolecular crystal structure and the bulk solvent, are described. The starting information may consist of either a tentative structural model for the missing atoms or an electron-density map. During structure completion and refinement, the use o...

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Publication status:
Published

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Publisher copy:
10.1107/s0907444900008490

Authors


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Institution:
University of Oxford
Division:
MSD
Department:
Pathology Dunn School
Role:
Author
Journal:
Acta crystallographica. Section D, Biological crystallography More from this journal
Volume:
56
Issue:
Pt 10
Pages:
1316-1323
Publication date:
2000-10-01
DOI:
EISSN:
1399-0047
ISSN:
0907-4449
Language:
English
Keywords:
Pubs id:
pubs:13310
UUID:
uuid:6a5a12c1-8b4b-42f5-b396-5f3ddab8fdc3
Local pid:
pubs:13310
Source identifiers:
13310
Deposit date:
2012-12-19

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