StoreResidueSubset

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StoreResidueSubset

Creates a residue subset by applying the user-specified residue selector to the current pose and saves the subset in the pose's cacheable data, allowing the subset to be accessed (unchanged) at a later point in the protocol. Must be used in conjunction with the StoredResidueSubset residue selector.

Autogenerated Tag Syntax Documentation:

XRW TO DO

<StoreResidueSubset name="(&string;)" residue_selector="(&string;)"
        subset_name="(&string;)" overwrite="(&bool;)" />

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.
subset_name: (REQUIRED) XRW TO DO
overwrite: XRW TO DO

<StoreResidueSubset name="(&string)" subset_name="(&string)" residue_selector="(&string)" overwrite="(0 &bool)" />

subset_name - The name the residue subset will be saved as in the pose's cacheable data. Must be identical to the subset_name used to retrieve the task using the StoredResidueSubset task operation.
residue_selector - The residue selector used to create the stored residue subset
overwrite - If set to true, will overwrite an existing subset with the same subset_name if one exists. If false, Rosetta will exit with an error if the existing subset is overwritten.

Example

<RESIDUE_SELECTORS>
  <!-- Creates a subset consisting of whatever is currently chain B -->
  <Chain name="chainb" chains="B" />

  <!-- Retrieves the residue subset created by the "StoreResidueSubset" mover -->
  <StoredResidueSubset name="get_original_chain_b" subset_name="original_chain_b" />
</RESIDUE_SELECTORS>
<MOVERS>
  <!-- stores a subset consisting of whatever is in chain B when this mover is called -->
  <StoreResidueSubset name="store_subset" residue_selector="chainb" subset_name="original_chain_b" />
</MOVERS>

StoreResidueSubset

StoreResidueSubset

See Also