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Generates coordinate constraints to restrain atoms of the pose to specific coordinates. Coordinate constraints can be generated according to the state of the pose at apply time, or optionally, based on a separate native pose.
Remember that to have effect, the coordinate_constraint scoreterm must be on in the scorefunction. It is highly recommended that you apply a virtual root to your pose prior to applying these constraints, especially if you're constraining against a native. (See the VirtualRootMover mover.)
<CoordinateConstraintGenerator name="(&string)"
residue_selector="(&string TrueSelector)"
sd="(&Real 0.5)"
bounded="(&bool false)"
bounded_width="(&Real 0.0)"
sidechain="(&bool false)"
ca_only="(&bool false)"
ambiguous_hnq="(&bool false)"
native="(&bool false)"
align_reference="(&bool false)" />
This example adds and removes coordinate constraints to sheet residues only, and uses the pose specified by -in:file:native to obtain the coordinates.
<RESIDUE_SELECTORS>
<SecondaryStructureSelector name="sheet" ss="E" use_dssp="1" />
</RESIDUE_SELECTORS>
<MOVERS>
<AddConstraints name="add_csts" >
<CoordinateConstraintGenerator name="gen_my_csts"
residue_selector="sheet" native="1" />
</AddConstraints>
<RemoveConstraints name="rm_csts" constraint_generators="gen_my_csts" />
</MOVERS>
<PROTOCOLS>
<Add mover="add_csts" />
<!-- do things with constraints -->
<Add mover="rm_csts" />
</PROTOCOLS>