Atoms stereo

Parameters

selection=string

(default: none)

delete|list

Description

Command that sets the stereospecific assignment status of the atoms that match the selection string. By default, the selection made in the most recent atoms select command is used, or all atoms if no selection has been made so far. Normally, the selected atoms are set as stereoassigned. If the option delete is set, the stereospecific assignment of the selected atoms is deleted. If the option list is set, the stereospecific assignment status of the selected atoms is listed, and remains unchanged. It is sufficient to select one atom of a diastereotopic pair to define or list the stereospecific assignment status of both diastereotopic partners of a prochiral group.