AddConstraints

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AddConstraints Mover

This mover uses one or more constraint generators to generate a set of constraints and add them to the pose. The set of constraints can be specifically removed by the RemoveConstraints mover.

Reminder: constraints added to the pose will not do anything if the appropriate constraint score terms are not turned on.

ConstraintGenerators can be given in the AddConstraints mover, or in a separate <CONSTRAINT_GENERATORS> XML block using the constraint_generators option.

<AddConstraints name="(&string)" >
   <!-- Constraint generator 1 ... -->
   <!-- Constraint generator 2 ... -->
   <!-- Constraint generator n ... -->
</AddConstraints>

Example

This example adds coordinate constraints to all residues in sheets.

<RESIDUE_SELECTORS>
    <SecondaryStructureSelector name="sheet" ss="E" use_dssp="1" />
</RESIDUE_SELECTORS>
<CONSTRAINT_GENERATORS>
    <CoordinateConstraintGenerator name="coord_cst_gen" constraint_generators="sheet" />
</CONSTRAINT_GENERATORS>
<MOVERS>
    <AddConstraints name="add_coord_csts" >
</MOVERS>

AddConstraints

AddConstraints Mover

Example

See Also