Molecular Information File dictionary (MIF) version 1.2.3

_define_stereo_relationship

Definition:

   Defines the enantiomorphic relationship of the stereo
   geometry in the data cell (data block or save frame).
   The descriptions of independently defined stereo regions, 
   whose centres all have the same inter-centre relationship, 
   may be grouped together. For each such group, the inter-centre
   relationship is specified by _define_stereo_relationship.
   Where there is only one such group, all the relevant data 
   may be included in the data block or save frame for the 
   molecule as a whole. Where there are several different
   such groups, each should be shown in a separate save frame 
   and _reference_stereo_group should be used to reference the 
   different save frames. 

   For each stereo group, a two-level loop structure will be 
   used to define the stereocentres it contains. Each stereogenic
   atom site is defined by _stereo_atom_id and _stereo_geometry at 
   the first loop level, and by _stereo_vertex_id at the second.  
   Each stereogenic bond is defined by _stereo_bond_id_1, 
   _stereo_bond_id_2 and _stereo_geometry at the first level, 
   and by _stereo_vertex_id at the second level.

Type: char

Category: define