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Atomic Labels
Each atom in a structure from the Cambridge Structural Database has a label, which consists of the element symbol followed by a number and (sometimes) a prime. CSD atom labels are normally identical to, or closely related to, those used by the author. Atoms generated by symmetry (i.e. not belonging to the asymmetric unit) will have an extra letter at the end of their label, which indicates which symmetry operation was used.
Relevant Program Options
- Labelling all atoms (see Section 6.2.4)
- Labelling particular atoms (see Section 6.3)
- Listing atom labels (see Section 13.1.3)
- Customising display of atom labels (see Section 6.2.5)
Related Topics
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Cambridge Crystallographic Data Centre Web: http://www.ccdc.cam.ac.uk Support Email: support@ccdc.cam.ac.uk Support Phone: +44 1223 336022 |