This namespace contains the following SD tags attached to components returned by OEGetMolComplexComponents specifying various properties. Any other roles a component is associated with are also be assigned SD tags (with a value of true). These SD tags can be removed with the function OEClearMolComplexSDData.
CovalentSDTag
Identifies a covalent ligand or cofactor.
CovalentLigandSDTag
Alias for CovalentSDTag for backward compatability.
PartOrderSDTag
The sequence number of the molecular component in the order it was identified in the source molecule.
SDTagPrefix
Prefix for all SD tags used when splitting molecular complexes.
SiteNumberSDTag
The component is associated with at least one binding site. The value is the sequence number of the binding site(s).
SurfaceWatersNumberSDTag
The component is a surface water. The value is the sequence number of the associated binding site(s).
See also