SYMMETRY

Molecular (not crystallographic) symmetry. The author can specify a point group or a set of symmetry operations (this could be useful for a helical molecule or one in a non-standard orientation.)

The content is the symmetry operators as (4*3) matrices (ARRAY). These should have the form [R|t] where R premultiplies the coordinates and t is a column translation vector. It is up to the author whether they give a complete set of operators (e.g. 48 for Oh) or whether they give just the group generators. The identity matrix can be assumed to be present in all cases.

SYMMETRY supports CONVENTION/DICTNAME and can therefore distinguish between Schoenflies and H-M conventions.

The following BUILTINs for XVAR are provided:

Content Model


Content


ATTRIBUTES
CONTENT DECLARATION

Tag Minimization
Open Tag: REQUIRED
Close Tag: REQUIRED

Parent Elements


Top Elements
All Elements
Tree


cml DTD