CYANA Command: library replace: Difference between revisions
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== Description == | == Description == | ||
Replaces for the atoms matched by the ''selection'' 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 coordinates of the corresponding residue entry in the residue | 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, the overlap atoms of an amino acid residue comprise 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. Replace selected coordinates in the library with those of the current structure. | ||
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 | |||
following residue. For instance, | |||
the atoms C and O of the preceding residue, and N of the following | |||
residue | |||
structure are used. | |||
Revision as of 09:39, 7 August 2009
Parameters
- selection=string
- (default: none)
Description
Replaces for the atoms matched by the selection 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, the overlap atoms of an amino acid residue comprise 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. Replace selected coordinates in the library with those of the current structure.