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Autogenerated Tag Syntax Documentation:
Sets residue type constraints (SequenceProfileConstraint) on the pose according to the given profile and weight.
<FavorSequenceProfile name="(&string;)" weight="(1 ℜ)" scorefxns="(&string;)" use_native="(&bool;)" use_fasta="(&bool;)" use_starting="(&bool;)" use_current="(&bool;)" pdbname="(&string;)" pssm="(&string;)" chain="(&non_negative_integer;)" scaling="(prob &favor_seqprof_scaling_type;)" matrix="(BLOSUM62 &string;)" exclude_resnums="(&string;)" reference_name="(&string;)" />
Sets residue type constraints on the pose according to the given profile and weight. Set one (and only one) of the following:
specify if needed:
You can set how to scale the given values with the "scaling" settings. The default value of "prob" does a per-residue Boltzmann-weighted probability based on the profile score (the unweighted scores for all 20 amino acid identities at any given position sum to -1.0). A setting of "global" does a global linear fixed-zero rescaling such that all (pre-weighted) values fall in the range of -1.0 to 1.0. A setting of "none" does no adjustment of values.
The parameter "weight" can be used to adjust the post-scaling strength of the constraints. (e.g. at a weight=0.2, global-scaled constraint energies fall in the range of -0.2 to 0.2 and prob-weighted IDENTITY-based constraint energies are in the range of -0.2 to 0, both assuming a res_type_constraint=1)
Note that the weight parameter does not affect the value of res_type_constraint in the scorefunction. As the constraints will only be visible with non-zero res_type_constraint values, the parameter scorefxns is a convenience feature to automatically set res_type_constraint to 1 in the listed functions where it is currently turned off.
If a structure is used for input instead of a PSSM, the profile weights used are based off of the given substitution matrix in the database. Current options include:
NOTE: The default behavior of FavorSequenceProfile has changed from previous versions. If you're using a structure as a reference, you'll want to check your weight, scaling and substitution matrix to make sure your energy values are falling in the appropriate range.
The following settings will replicate the default behavior of the FavorNativeResidueMover with the default weight of 1.5:
Note that in contrast to FavorNativeResidue, FavorSequenceProfile does not update the weights of your scorefxn (unless it is listed in
<FavorSequenceProfile name="favournative" weight="1.5" use_current="true" matrix="IDENTITY"/>