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ConvertVirtualToRealMover

Autogenerated Tag Syntax Documentation:


Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com) and Sebastian Raemisch (raemisch@scripps.edu) Mover for switching from VIRTUAL residues to REAL residues. A VIRTUAL residue is one that is not scored or output.

<ConvertVirtualToRealMover name="(&string;)" residue_selector="(&string;)" />
  • residue_selector: . The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.

This mover is useful for building specific protocols or for (not)-ignoring parts of your pose. A virtual residue is one that is not scored or output to a PDB.

Example Use case

This mover was used to do iterative, semi-enumerative sampling of carbohydrate branches in the GlycanTreeRelax mover.

See Also