Back to Mover page.
Temporary Note: The increased repulsive feature presented at Rosettacon2018 can be found here.
Performs the fast relax protocol. This finds low-energy backbone and side-chain conformations near a starting conformations by performing many rounds of packing and minimizing, with the repulsive weight in the scoring function gradually increased from a very low value to the normal value from one round to the next.
Autogenerated Tag Syntax Documentation:
Performs the fast relax protocol
<FastRelax name="(&string;)" scorefxn="(&string;)" disable_design="(true &bool;)" task_operations="(&task_operation_comma_separated_list;)" task_factory="(&string;)" packer_palette="(&named_packer_palette;)" repeats="(5 &integer;)" relaxscript="(default &string;)" cst_file="(&string;)" batch="(false &bool;)" cartesian="(false &bool;)" dualspace="(false &bool;)" movemap_disables_packing_of_fixed_chi_positions="(false &bool;)" ramp_down_constraints="(false &bool;)" bondangle="(false &bool;)" bondlength="(false &bool;)" min_type="(lbfgs_armijo_nonmonotone &minimizer_type;)" delete_virtual_residues_after_FastRelax="(&bool;)" movemap_factory="(&string;)" > <MoveMap name="(&string;)" bb="(&bool;)" chi="(&bool;)" jump="(&bool;)" > <Jump number="(&non_negative_integer;)" setting="(&bool;)" /> <Chain number="(&non_negative_integer;)" chi="(&bool;)" bb="(&bool;)" /> <Span begin="(&non_negative_integer;)" end="(&non_negative_integer;)" chi="(&bool;)" bb="(&bool;)" bondangle="(&bool;)" bondlength="(&bool;)" /> <ResidueSelector selector="(&string;)" chi="(&bool;)" bb="(&bool;)" bondangle="(&bool;)" bondlength="(&bool;)" /> </MoveMap> </FastRelax>
Subtag MoveMap: MoveMap specification
Subtag Jump: jumps are the not-chemistry internal coordinate connections between separate parts of your pose
Subtag Chain: this controls a kinematically contiguous chain (think protein chains)
Subtag Span: XRW TO DO, probably a user-defined region of the Pose
Subtag ResidueSelector: Residue selector defined region of the Pose.
The MoveMap (for FastRelax) is initially set to minimize all degrees of freedom. The movemap lines are read in the order in which they are written in the xml file, and can be used to turn on or off dofs. The movemap is parsed only at apply time, so that the foldtree and the kinematic structure of the pose at the time of activation will be respected.
For a list of relax scripts in the database, click here.
See the relax application page for more information on these options. These options ARE NOT INTERPRETED by the FastRelax Mover; they are interpreted by wrapping code in the relax protocol instead. If you are using FastRelax in XML you will need several other movers to achieve this effect.
-in:file:movemapoption, the RosettaScripts mover ignores it. Instead you must use the
<MoveMap>syntax described above.
ERROR: Scorefunction not set up for nonideal/Cartesian scoring) you must set
cart_bondedto 0.5 and
FastRelax is fully symmetry compatible and no special considerations are needed.
Until 8 February 2020, the default behaviour of FastRelax was to disable packing at all positions for which side-chain minimization was disabled by the MoveMap. This is counter-intuitive, since in all other cases, MoveMaps control only minimization, and not packing. (Packing is normally controlled by TaskOperations). This behaviour has therefore been deprecated. It can still be re-enabled using the
movemap_disables_packing_of_fixed_chi_positions="true" option in RosettaScripts.