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Non-crystallographic symmetry operations

Open sauliusg opened this issue 1 year ago • 0 comments

The space group symmetry operation descriptions (#464) apply to the whole crystal and not to a single molecule or atom cluster. For this reason they can only contain crystallographic symmetry elements and are not applicable to non-periodic structure models.

A separate property, specifying arbitrary orthogonal transformation matrices (4x4 Seitz matrices) should be standardized to describe both non-crystallographic symmetry and non-periodic molecule symmetry.

sauliusg avatar Jun 22 '23 08:06 sauliusg