Autogenerated Tag Syntax Documentation:


During packing, extra rotamers can be used to increase sampling. Use this TaskOperation to specify for all residues at once what extra rotamers should be used. Note: The extrachi_cutoff is used to determine how many neighbors a residue must have before the extra rotamers are applied. For example of you want to apply extra rotamers to all residues, set extrachi_cutoff=0.

<ExtraRotamersGenericRLT name="(&string;)" ex1="(0 &bool;)" ex2="(0 &bool;)"
        ex3="(0 &bool;)" ex4="(0 &bool;)" ex1aro="(0 &bool;)"
        ex2aro="(0 &bool;)" ex1aro_exposed="(0 &bool;)"
        ex2aro_exposed="(0 &bool;)" ex1_sample_level="(1 &exchi_sample_level;)"
        ex2_sample_level="(0 &exchi_sample_level;)"
        ex3_sample_level="(1 &exchi_sample_level;)"
        ex4_sample_level="(1 &exchi_sample_level;)"
        ex1aro_sample_level="(1 &exchi_sample_level;)"
        ex2aro_sample_level="(0 &exchi_sample_level;)"
        ex1aro_exposed_sample_level="(1 &exchi_sample_level;)"
        ex2aro_exposed_sample_level="(1 &exchi_sample_level;)"
        extrachi_cutoff="(18 &non_negative_integer;)" />
  • ex1: Use extra chi1 sub-rotamers for all residues that pass the extrachi_cutof
  • ex2: Use extra chi2 sub-rotamers for all residues that pass the extrachi_cutoff
  • ex3: Use extra chi3 sub-rotamers for all residues that pass the extrachi_cutoff
  • ex4: Use extra chi4 sub-rotamers for all residues that pass the extrachi_cutoff
  • ex1aro: Use extra chi1 sub-rotamers for aromatic residues that pass the extrachi_cutoff
  • ex2aro: Use extra chi2 sub-rotamers for aromatic residues that pass the extrachi_cutoff
  • ex1aro_exposed: Use extra chi1 sub-rotamers for all aromatic residues
  • ex2aro_exposed: Use extra chi2 sub-rotamers for all aromatic residues
  • ex1_sample_level: Sampling level for chi1 sampling; all include the current chi dihedral. There are currently 8 options: NO_EXTRA_CHI_SAMPLES (0) (original only); EX_ONE_STDDEV (1) (default, +- one sd, 3 samples); EX_ONE_HALF_STEP_STDDEV (2)(+- 0.5 sd, 3 samples); EX_TWO_FULL_STEP_STDDEVS(3) ( +- 1 and 2 sd, 5 samples); EX_TWO_HALF_STEP_STDDEVS(4) ( +- 0.5 and +- 1 sd, 5 samples); EX_FOUR_HALF_STEP_STDDEVS(5) ( +- 0.5, 1, 1.5, 2 sd, 9 samples); EX_THREE_THIRD_STEP_STDDEVS (6) ( +- 0.33, 0.67, 1 sd; 7 samples); EX_SIX_QUARTER_STEP_STDDEVS (7) ( += 0.25, 0.5, 0.75, 1.25, 1.5 sd; 13 samples)
  • ex2_sample_level: Sampling level for chi2 sampling; see ex1_sample_level for available options.
  • ex3_sample_level: Sampling level for chi3 sampling; see ex1_sample_level for available options
  • ex4_sample_level: Sampling level for chi4 sampling; see ex1_sample_level for available options
  • ex1aro_sample_level: Sampling level for aromatic chi1 sampling; see ex1_sample_level for available options
  • ex2aro_sample_level: Sampling level for aromatic chi2 sampling; see ex1_sample_level for available options
  • ex1aro_exposed_sample_level: Sampling level for aromatic chi1 sampling; see ex1_sample_level for available options
  • ex2aro_exposed_sample_level: Sampling level for aromatic chi1 sampling; see ex1_sample_level for available options
  • extrachi_cutoff: Number of neighbors a residue must have before extra rotamers are used. Default 18