Atoms swap: Difference between revisions
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= atoms swap = | |||
== Parameters == | == Parameters == | ||
Revision as of 19:12, 28 January 2009
atoms swap
Parameters
- selection=string
- (default: none)
Description
Command that swaps diastereotopic partners in peaks, distance restraints, coupling constants and chemical shifts (but not in the structure itself) for 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. It is sufficient to select one atom of a diastereotopic pair to swap both diastereotopic partners.