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Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related str...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3498934/ https://www.ncbi.nlm.nih.gov/pubmed/23151636 http://dx.doi.org/10.1107/S0907444912040590 |
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author | Ramraj, V. Evans, G. Diprose, J. M. Esnouf, R. M. |
author_facet | Ramraj, V. Evans, G. Diprose, J. M. Esnouf, R. M. |
author_sort | Ramraj, V. |
collection | PubMed |
description | When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related structures. Providing such information to crystallographers conveniently and quickly, as soon as the first images have been recorded and the unit cell characterized at an X-ray beamline, has the potential to save time and effort as well as pointing to possible search models for molecular replacement. Given an input unit cell, and optionally a space group, Nearest-cell rapidly scans the Protein Data Bank and retrieves near-matches. |
format | Online Article Text |
id | pubmed-3498934 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34989342012-11-16 Nearest-cell: a fast and easy tool for locating crystal matches in the PDB Ramraj, V. Evans, G. Diprose, J. M. Esnouf, R. M. Acta Crystallogr D Biol Crystallogr Short Communications When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related structures. Providing such information to crystallographers conveniently and quickly, as soon as the first images have been recorded and the unit cell characterized at an X-ray beamline, has the potential to save time and effort as well as pointing to possible search models for molecular replacement. Given an input unit cell, and optionally a space group, Nearest-cell rapidly scans the Protein Data Bank and retrieves near-matches. International Union of Crystallography 2012-12-01 2012-11-09 /pmc/articles/PMC3498934/ /pubmed/23151636 http://dx.doi.org/10.1107/S0907444912040590 Text en © Ramraj et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Short Communications Ramraj, V. Evans, G. Diprose, J. M. Esnouf, R. M. Nearest-cell: a fast and easy tool for locating crystal matches in the PDB |
title |
Nearest-cell: a fast and easy tool for locating crystal matches in the PDB |
title_full |
Nearest-cell: a fast and easy tool for locating crystal matches in the PDB |
title_fullStr |
Nearest-cell: a fast and easy tool for locating crystal matches in the PDB |
title_full_unstemmed |
Nearest-cell: a fast and easy tool for locating crystal matches in the PDB |
title_short |
Nearest-cell: a fast and easy tool for locating crystal matches in the PDB |
title_sort | nearest-cell: a fast and easy tool for locating crystal matches in the pdb |
topic | Short Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3498934/ https://www.ncbi.nlm.nih.gov/pubmed/23151636 http://dx.doi.org/10.1107/S0907444912040590 |
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