OEGroupTypeΒΆ

The OEGroupType namespace encodes symbolic constants representing various group ids.

Undefined

MDLAbsStereo

This tag identifies the set of stereocenters with absolute stereochemistry.

MDLOrStereo

This tag identifies the set of stereocenters with relative (to other centers in the set) stereochemistry. The actual stereochemistry could be exactly as marked, or with all centers of the opposite parity. Only one of the two configurations is assumed to be present.

MDLAndStereo

This tag identifies the set of stereocenters with racemic stereochemistry. A mixture of the two enantiomeric configurations is present, one with the stereocenters of the marked parity, and the other with all the stereoceters of the opposite parity. No information about the relative amount of one or the other enantiomer is assumed or implied.

Component

This tag identifies a set atoms that were identified as originating from the same reactant or product component. This information allows multi-fragment reaction components to be identified.