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Improvement of molecular-replacement models with Sculptor

Open access
Bunkóczi, Gábor, Read, Randy J.·2011·Acta Crystallographica Section D Biological Crystallography

Abstract

In molecular replacement, the quality of models can be improved by transferring information contained in sequence alignment to the template structure. A family of algorithms has been developed that make use of the sequence-similarity score calculated from residue-substitution scores smoothed over nearby residues to delete or downweight parts of the model that are unreliable. These algorithms have been implemented in the program Sculptor, together with well established methods that are in common use for model improvement. An analysis of the new algorithms has been performed by studying the effect of algorithm parameters on the quality of models. Benchmarking against existing techniques shows that models from Sculptor compare favourably, especially if the alignment is unreliable. Carrying out multiple trials using alternative models created from the same structure but using different algorithm parameters can significantly improve the success rate.

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Metadata

Authors
Bunkóczi, G., & Read, R. J.
Venue
Acta Crystallographica Section D Biological Crystallography
Published
2011-03-18
Volume
67
Issue
4
Pages
303-312
ISSN
0907-4449 (ISSN-L)
OpenAlex
W2094646744
Cited by
209
References
3
FWCI
4.34
Type
journal article
Language
en
Open access
hybrid

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CoChat. (2026). Citation check: Improvement of molecular-replacement models with Sculptor. https://app.cochat.ai/papers/10.1107/s0907444910051218
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Bunkóczi, G., & Read, R. J. (2011). Improvement of molecular-replacement models with Sculptor. Acta Crystallographica Section D Biological Crystallography. https://doi.org/10.1107/s0907444910051218

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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