Déjà Vu v1

Paste your unit cell & space group — find out if you’ve re-crystallised a known structure

Paste crystallography output
Unit cell
Space group
Symbol
Number
System
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Mission statement & references
Déjà Vu is a modern replacement for Nearest-cell (Ramraj et al., 2012), which is no longer available. Collecting data from a crystal that’s already in the PDB wastes beamtime — this tool catches that before you commit to a full dataset. Both your cell and the entire PDB X-ray index are compared in Niggli-reduced form (canonical a ≤ b ≤ c), making the search robust to axis reordering, missed symmetry, and enantiomorphic settings, with every hit labelled by its space-group relationship to your query. Nearest-cell reduced to P1 and tested all six axis permutations via MATFIT rotation superposition; Niggli reduction gives a unique canonical form directly — no enumeration needed. I wanted a fast, browser-accessible alternative — no original crystallographic science was performed by me.
  1. Ramraj, A., Evans, G., Diprose, J.M. & Esnouf, R.M. (2012) Nearest-cell: a tool for the identification of similar unit cells. Acta Cryst. D68, 1697–1700. doi:10.1107/S0907444912039047
  2. Křivý, I. & Gruber, B. (1976) A unified algorithm for determining the reduced (Niggli) cell. Acta Cryst. A32, 297–298. doi:10.1107/S0567739476000636
  3. Grosse-Kunstleve, R.W., Sauter, N.K. & Adams, P.D. (2004) Numerically stable algorithms for the computation of reduced unit cells. Acta Cryst. A60, 1–6. doi:10.1107/S010876730302186X
Paste a unit cell & space group above, then press Search.