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10.4 Defining New Types of Nonbonded Contacts
Mercury allows you to add your own definitions of (or edit existing definitions of):
- H-bonds (see Section 10.4.3).
- Short contacts (see Section 10.4.4).
- Specific contacts (see Section 10.4.5).
In each case, you will need to:
- Specify distance limits (see Section 10.4.1).
- Specify whether the contact is allowed to be intermolecular and/or intramolecular (see Section 10.4.2).
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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 |