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Privateer: software for the conformational validation of carbohydrate structures

Nature Structural & Molecular Biology volume 22, pages 833–834 (2015)Cite this article

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Privateer (http://www.ccp4.ac.uk/html/privateer.html) is a new software package aimed at the detection and prevention of conformational, regiochemical and stereochemical anomalies in cyclic monosaccharide structures.

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Figure 1: N-glycan D-pyranosides in high-energy conformations, as deposited in the PDB (left), and their corrected counterparts (right).

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Acknowledgements

This work was supported by the Biotechnology and Biological Sciences Research Council grant BB/K008153/1 (to K.S.W. and K.D.C.), Ministerio de Economía y Competitividad (MINECO) grant CTQ2014-55174-P (to C.R.) and Agència de Gestió d'Ajuts Universitaris i de Recerca (AGAUR) grant 2014SGR-987 (to C.R.). The authors thank E. Krissinel (CCP4) for valuable assistance in using CCP4SRS and the Barcelona Supercomputing Center (BSC) for providing computing support.

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  1. Javier Iglesias-Fernández

    Present address: Present address: Department of Chemistry, King's College, London, UK.,

Authors and Affiliations

  1. Department of Chemistry, University of York, York, UK

    Jon Agirre, Gideon J Davies, Keith S Wilson & Kevin D Cowtan

  2. Departament de Química Orgànica and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Barcelona, Spain

    Javier Iglesias-Fernández & Carme Rovira

  3. Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain

    Carme Rovira

Authors
  1. Jon Agirre
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  2. Javier Iglesias-Fernández
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  3. Carme Rovira
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  4. Gideon J Davies
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  5. Keith S Wilson
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Correspondence to Jon Agirre or Kevin D Cowtan.

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Agirre, J., Iglesias-Fernández, J., Rovira, C. et al. Privateer: software for the conformational validation of carbohydrate structures. Nat Struct Mol Biol 22, 833–834 (2015). https://doi.org/10.1038/nsmb.3115

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