Constraint Generators

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Constraint Generators

Constraint Generators are a method for automatically making and removing constraints, based on the current structure of the pose.

The AddConstraintsMover can take a Constraint Generator and add constraints to the pose, and the RemoveConstraintsMover will remove constraints added by the AddConstraintsMover.

See the RosettaScripts Mover page for a current listing of valid Constraint Generators.

Example

This example adds and removes distance 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" >
        <AtomPairConstraintGenerator 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>

Constraint Generators

Constraint Generators

Example

See Also