ExtractAsymmetricUnit

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ExtractAsymmetricUnit

The inverse of SetupForSymmetry: given a symmetric pose, make a nonsymmetric pose that contains only the asymmetric unit.

For historical reasons, the pose returned by this mover will include virtual atoms that are added by the SetupForSymmetry mover, and will not include amino acids of type aa_unk (e.g. non-canonical amino acids, ligands, etc). This behavior can be controlled using the options below.

Usage

<ExtractAsymmetricUnit name="(&string)"
    keep_virtual="(&bool, true)"
    keep_unknown_aas="(&bool, false)" />

Options

Autogenerated Tag Syntax Documentation:

The inverse of SetupForSymmetry: given a symmetric pose, make a nonsymmetric pose that contains only the asymmetric unit.

References and author information for the ExtractAsymmetricUnit mover:

ExtractAsymmetricUnit Mover's citation(s): DiMaio F, Leaver-Fay A, Bradley P, Baker D, and André I. (2011). Modeling symmetric macromolecular structures in Rosetta3. PLoS One 6(6):e20450. doi: 10.1371/journal.pone.0020450.

<ExtractAsymmetricUnit name="(&string;)" keep_virtual="(&bool;)"
        keep_unknown_aas="(&bool;)" />

keep_virtual: If true, virtual atoms will be left in the pose. If false, the extracted asymmetric unit will not contain virtual atoms.
keep_unknown_aas: Deprecated option. All de-symmetrization will keep non-canonical amino acids.

ExtractAsymmetricUnit