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PackRotamersMover

Repacks sidechains with user-supplied options, including TaskOperations

<PackRotamersMover name="&string" scorefxn="(score12 &string)" task_operations="(&string,&string,&string)"/>
  • scorefxn: scorefunction to use for repacking (NOTE: the error "Scorefunction not set up for nonideal/Cartesian scoring" can be fixed by adding 'Reweight scoretype="pro_close" weight="0.0"' under the talaris2013_cart scorefxn in the SCOREFXNS section)
  • task_operations: comma-separated list of task operations. These must have been previously defined in the TaskOperations section.

NOTE: By default, packing includes sampling all possible sidechains, i.e. it performs sequence design! The way to prevent this is to pass a RestrictToRepacking task operation:

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

[...]

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

See Also