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LAFIRE : software for automating the refinement process of protein-structure analysis

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Title: LAFIRE : software for automating the refinement process of protein-structure analysis
Authors: Yao, Min Browse this author →KAKEN DB
Zhou, Yong Browse this author
Tanaka, Isao Browse this author →KAKEN DB
Keywords: automatic refinement
structural genomics
high-throughput structure analysis
Issue Date: 2006
Publisher: International Union of Crystallography
Journal Title: Acta Crystallographica Section D Biological Crystallography
Volume: 62
Issue: 2
Start Page: 189
End Page: 196
Publisher DOI: 10.1107/S0907444905038965
PMID: 16421450
Abstract: Manual intervention is usually required in the multiple rounds of refinement of protein crystal structures, including linking and/or extending the fragments of the initial model and rebuilding (fitting) ill-matched residues using computer-graphics software. Such manual modification is both time-consuming and requires a great deal of expertise in crystallography. Consequently, the refinement process becomes the bottleneck for high-throughput structure analysis. A program, Local correlation coefficient-based Automatic FItting for REfinement (LAFIRE), has been developed to achieve manual intervention-free refinement. This program was designed to perform the entire process of protein structural refinement automatically using the refinement programs CNS1.1 (CNS v.1.1) or REFMAC5. The automatic process begins from an initial model, which can be approximate, fragmentary or even only main-chain, and refines it to the final model including water molecules, controlled by monitoring the Rfree factor. More than 30 structures have now been refined successfully in a fully or semi-automatic manner within a few hours or days using LAFIRE.
Type: article
Appears in Collections:生命科学院・先端生命科学研究院 (Graduate School of Life Science / Faculty of Advanced Life Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 姚 閔

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