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- compute_avge_scores(...) method of builtins.PyCapsule instance
- compute_avge_scores(pose : rosetta.core.pose.Pose, residue_avge : rosetta.utility.vector1_double, residue_normsasa : rosetta.utility.vector1_double, average_avge : float, average_normsasa : float) -> NoneType
Compute normalize scores for the given pose based on average energies (hence "avgE") for pdb structures.
Currently only scores non-terminal, non-disulfide, protein residues.
The "avge" score for a residue is the difference between its per-residue score and the expected per-residue
score for that residue type, conditioned on the residue SASA with a 1.4A probe.
Right now, the following scores are excluded from the avge sum since they are often very large in native structures:
fa_rep, fa_dun, pro_close, omega
as well as paa_pp for glycine, since it's just weird. Could consider refitting these
The normsasa is just the difference between a residues SASA-1.4 and the average SASA-1.4 for that residue type
Refitting app and python code will be checked in shortly.
- compute_residue_sasas_for_sasa_scores(...) method of builtins.PyCapsule instance
- compute_residue_sasas_for_sasa_scores(probe_radius : float, pose : rosetta.core.pose.Pose, rsd_sasa : rosetta.utility.vector1_double) -> NoneType
Compute residue sasa values for use in deriving and assigning sasapack-like scores
- compute_sasapack_scores(...) method of builtins.PyCapsule instance
- compute_sasapack_scores(pose : rosetta.core.pose.Pose, residue_sasapack : rosetta.utility.vector1_double, residue_normsasa : rosetta.utility.vector1_double, average_sasapack : float, average_normsasa : float) -> NoneType
Compute sasapack scores for the given pose.
Currently only scores non-terminal, non-disulfide, protein residues.
The sasapack score for a residue is the difference between its SASA with a 0.5A probe
and the average SASA value for that residue-type in a large set of pdb structures, conditioned
on the SASA with a 1.4A probe.
The normsasa is just the difference between a residues SASA-1.4 and the average SASA-1.4 for that residue type
Refitting app and python code will be checked in shortly.
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