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...
| Main Authors: | , , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2012
|
| _version_ | 1797090864364781568 |
|---|---|
| author | Ramraj, V Evans, G Diprose, J Esnouf, R |
| author_facet | Ramraj, V Evans, G Diprose, J Esnouf, R |
| author_sort | Ramraj, V |
| collection | OXFORD |
| 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. |
| first_indexed | 2024-03-07T03:24:49Z |
| format | Journal article |
| id | oxford-uuid:b8b186e9-df12-4c0d-82ef-5fc5417f4271 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:24:49Z |
| publishDate | 2012 |
| record_format | dspace |
| spelling | oxford-uuid:b8b186e9-df12-4c0d-82ef-5fc5417f42712022-03-27T04:57:31ZNearest-cell: a fast and easy tool for locating crystal matches in the PDB.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:b8b186e9-df12-4c0d-82ef-5fc5417f4271EnglishSymplectic Elements at Oxford2012Ramraj, VEvans, GDiprose, JEsnouf, RWhen 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. |
| spellingShingle | Ramraj, V Evans, G Diprose, J Esnouf, R 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 |
| work_keys_str_mv | AT ramrajv nearestcellafastandeasytoolforlocatingcrystalmatchesinthepdb AT evansg nearestcellafastandeasytoolforlocatingcrystalmatchesinthepdb AT diprosej nearestcellafastandeasytoolforlocatingcrystalmatchesinthepdb AT esnoufr nearestcellafastandeasytoolforlocatingcrystalmatchesinthepdb |