Molecular Information File dictionary (MIF) version 1.2.3

_stereo_geometry

Name:
'_stereo_geometry'

Definition:

   Specifies the geometry of the stereocentre being described. 
   Note that the enumeration values are not descriptions of the 
   chemical entities, only the stereo geometry. Thus, the
   stereochemistry of hindered biphenyls may conform to the ALLENE 
   geometry, although they are not chemically allenes. The order of
   the associated _stereo_vertex_id values is determined by the
   geometry. The first site is selected as that closest to the axis
   of highest symmetry for the described geometry. Subsequent sites
   are selected sequentially by right-hand rotations about this
   axis; otherwise by selecting a site closest to the initial site.

Appears in list as essential element of loop structure
The data value must be one of the following:


square 		four sites

olefin 		four sites in a rectangle

allene 		four sites in a distorted tetrahedron

tetrahedron 		four sites

square_pyramid 		five sites

trigonal_bipyramid 		five sites

octahedron 		six sites

cube 		eight sites

Type: char

Category: stereo








































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