期刊
NATURE PROTOCOLS
卷 3, 期 7, 页码 1171-1179出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/nprot.2008.91
关键词
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资金
- NIH [R01 GM62612]
- EU BIOXHIT FW6 Integrated Project [LSHG-CT-2003-503420]
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R01GM062612] Funding Source: NIH RePORTER
ARP/wARP is a software suite to build macromolecular models in X-ray crystallography electron density maps. Structural genomics initiatives and the study of complex macromolecular assemblies and membrane proteins all rely on advanced methods for 3D structure determination. ARP/wARP meets these needs by providing the tools to obtain a macromolecular model automatically, with a reproducible computational procedure. ARP/wARP 7.0 tackles several tasks: iterative protein model building including a high-level decision-making control module; fast construction of the secondary structure of a protein; building flexible loops in alternate conformations; fully automated placement of ligands, including a choice of the best-fitting ligand from a 'cocktail'; and finding ordered water molecules. All protocols are easy to handle by a nonexpert user through a graphical user interface or a command line. The time required is typically a few minutes although iterative model building may take a few hours.
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