Back to Mover page. Page last updated 9 April 2018.

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Given a symmetry definition file that describes configuration and scoring of a symmetric system, this mover 'symmetrizes' an asymmetric pose.

<SetupForSymmetry name="(&string;)" definition="(&string;)"
        preserve_datacache="(0 &bool;)" keep_pdb_info_labels="(0 &bool;)"
        symmetry_resource="(&string;)"
        set_global_symmetry_at_parsetime="(true &bool;)" />
  • definition: The path and filename for a symmetry definition file. This is optional because you can also specify -symmetry:symmetry_definition {pathto/filename_symmetry_definition_file} on the command line.
  • preserve_datacache: If true, the datacache from the input asymmetric pose will be copied into the new symmetric pose. If false, the pose datacache will be cleared. Default is false for historical reasons.
  • keep_pdb_info_labels: If true, keep PDB Info labels from input pose.
  • symmetry_resource: The name for symmetry definition object created by the ResourceManager; this Resource must be declared in the RESOURCES block at the top of the protocol XML file
  • set_global_symmetry_at_parsetime: Should the -symmetry_definition flag be set globally by this mover at parse time. The default (true) maintains compatibility with all protocols, but can cause problems if symmetry is set or changed partway through a protocol.

The set_global_symmetry_at_parsetime option

For historical reasons, many protocols require symmetry to be set as a global option during script parsing. This is potentially dangerous, because symmetry is set throughout the protocol regardless of when SetupForSymmetry mover is applied.

If your protocol is producing unexpected results or symmetry-related error messages, try setting set_global_symmetry_at_parsetime=0, which disables setting the global option. If you have set set_global_symmetry_at_parsetime=0 and Rosetta complains that you are dealing with an asymmetric pose or similar error, try setting set_global_symmetry_at_parsetime=1 to enable setting the global option.

For backwards compatibility, set_global_symmetry_at_parsetime=1 is currently the default.

A best practice could be to set_global_symmetry_at_parsetime=0 and see if your protocols runs as expected without errors. If so, great. If not, set_global_symmetry_at_parsetime=1 and see if that fixes it (in which case something is relying on the global setting).

Example

Given the symmetry definition file 'C2.symm':

<SetupForSymmetry name="setup_symm" definition="C2.symm" preserve_datacache="0" />

See Also