OEGroupType

The OEGroupType namespace encodes symbolic constants representing various group ids.

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.

MDLAbsStereo

This tag identifies the set of stereo centers with absolute stereochemistry.

MDLOrStereo

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

Monomer

This tag identifies the set of atoms that are belong to a specific monomer as parsed when a molecule is initialized with OEHelmToMol.

Undefined

UserDefined

This tag identifies a set atoms and/or bonds that were applied by an explicit user operation. Groups defined with this tag are supported for serialization in the .oeb format.