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10.3.2 Default Definition of Short Nonbonded Contacts
- The default definition of a short contact in Mercury is any intermolecular contact shorter than the sum of the van der Waals Radii of the atoms involved.
- This pre-set default definition is always associated with the entry Short Contact <(sum of vdw radii) in the list box underneath the display area in the main Mercury window:
- The default definition can be edited by double-clicking on it and setting options as required in the resulting Define Short Contacts dialogue box (see Section 10.4.4).
- Short contacts satisfying the default definition can be displayed in the display area by switching on the tick box next to the words Short Contact <(sum of vdw radii):
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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 |