OENitrogenEnumerationΒΆ

This namespace contains constants that are used with OEOmegaOptions::SetEnumNitrogen to control the behavior of OEOmega with respect to enumeration of non-planar nitrogens. Any nitrogen with pyramidal geometry in the initial model of the input molecule, and having no more than two ring bonds is considered by OEOmega to be ‘invertible’.

Off

Nitrogens are not enumerated.

All

All invertible nitrogens will be enumerated.

Unspecified

Only invertible nitrogens with unspecified stereochemistry will be enumerated.

Default

Equivalent to OENitrogenEnumeration::All.