Library replace

library_replace

Parameters

selection=string

(default: none)

Description

This command replaces for the atoms matched by the selection string the coordinates of the corresponding residue entry in the residue library entry by the coordinates of the current structure. 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.

The coordinate replacement takes place only for residues for which the atom selection includes all atoms of a residue entry in the residue library, including possible "overlap" atoms with the preceding and following residue. For instance, in the case of amino acid residues the atoms C and O of the preceding residue, and N of the following residue). The coordinates of the first matching residue in the current structure are used.