PackRotamersMover

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PackRotamersMover

Repacks sidechains with user-supplied options, including TaskOperations (and, for noncanonical design, PackerPalettes).

Usage

Autogenerated Tag Syntax Documentation:

Repacks sidechains with user-supplied options, including TaskOperations.

<PackRotamersMover name="(&string;)" nloop="(1 &non_negative_integer;)"
        scorefxn="(&string;)"
        task_operations="(&task_operation_comma_separated_list;)"
        packer_palette="(&named_packer_palette;)" />

nloop: Equivalent to "-ndruns".Number of complete packing runs before an output (best score) is produced.
scorefxn: Name of score function to use
task_operations: A comma-separated list of TaskOperations to use.
packer_palette: A previously-defined PackerPalette to use, which specifies the set of residue types with which to design (to be pruned with TaskOperations).

NOTE: By default, packing includes sampling all sidechains in the current PackerPalette, i.e. it performs sequence design! The way to prevent this, if you only want to pack existing side-chains without changing side-chain identity, is to pass a RestrictToRepacking task operation:

<TASKOPERATIONS>
   <RestrictToRepacking name="repackonly" />
</TASKOPERATIONS>

[...]

<PackRotamersMover name="&string" scorefxn="(score12 &string)" task_operations="repackonly"/>

PackRotamersMover

PackRotamersMover

Usage

See Also