Case: Is there any way to permanently alter the default atomic radii of atoms? - The Cambridge Crystallographic Data Centre (CCDC)

CCDC> Support and Resources > FAQs > Is there any way to permanently alter the default atomic radii of atoms?

Is there any way to permanently alter the default atomic radii of atoms?

Solution

Mercury uses an internal set of atomic radii. A list of these radii can be found in the Mercury User Guide under the Van der Waals link (Appendix A). It is not possible, in any of the formats that Mercury reads, to change the radii or tolerances used in determining structural connectivity.

« Return to search results

Need more help?
Contact CCDC Support.

FAQs

Is there any way to permanently alter the default atomic radii of atoms?

Solution

Solution Particulars