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ddg.xml
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ddg.xml
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<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="myscore" weights="%%wts%%"/>
</SCOREFXNS>
<TASKOPERATIONS>
RestrictToInterface name=interface jump=1 distance=8.0/>
<RestrictToInterfaceVector name="interface" chain1_num="1" chain2_num="2" CB_dist_cutoff="10.0" nearby_atom_cutoff="5.5" vector_angle_cutoff="75.0" vector_dist_cutoff="9.0"/>
<IncludeCurrent name="ic"/>
ExtraRotamersGeneric name=extra ex1=1 ex2=1 extrachi_cutoff=0/>
<RestrictToRepacking name="restrict"/>
</TASKOPERATIONS>
<FILTERS>
</FILTERS>
<MOVERS>
PackRotamersMover name=pack scorefxn=myscore task_operations=restrict,interface,ic />
TaskAwareMinMover name=min scorefxn=myscore chi=1 bb=0 jump=1 task_operations=interface tolerance=0.001 max_iter=10/>
<ddG name="ddG" scorefxn="myscore" chain_num="2" repack_bound="1"/>
</MOVERS>
<PROTOCOLS>
Add mover_name = pack/>
Add mover_name = min/>
<Add mover_name="ddG"/>
</PROTOCOLS>
</ROSETTASCRIPTS>