scripting_documentation/RosettaScripts/xsd/mover_BackboneGridSampler

Autogenerated Tag Syntax Documentation:

Sample mainchain torsions for peptides in a grid, saving good conformations

References and author information for the BackboneGridSampler mover:

BackboneGridSampler Mover's author(s): Vikram K. Mulligan, Systems Biology, Center for Computational Biology, Flatiron Institute [vmulligan@flatironinstitute.org]

<BackboneGridSampler name="(&string;)" scorefxn="(&string;)"
        max_samples="(10000 &non_negative_integer;)"
        selection_type="(&BackboneGridSampler_lohigh;)"
        pre_scoring_mover="(&string;)" pre_scoring_filter="(&string;)"
        dump_pdbs="(false &bool;)" pdb_prefix="(&string;)"
        nstruct_mode="(false &bool;)"
        nstruct_repeats="(1 &non_negative_integer;)"
        residues_per_repeat="(1 &non_negative_integer;)"
        residue_count="(12 &non_negative_integer;)"
        repeat_count="(12 &non_negative_integer;)" residue_name="(ALA &string;)"
        residue_name_1="(ALA &string;)" residue_name_2="(ALA &string;)"
        residue_name_3="(ALA &string;)" residue_name_4="(ALA &string;)"
        cap_ends="(false &bool;)" >
    <MainchainTorsion index="(&non_negative_integer;)"
            res_index="(1 &non_negative_integer;)" value="(0 &real;)"
            start="(-180.0 &real;)" end="(-180.0 &real;)"
            samples="(2 &non_negative_integer;)" />
</BackboneGridSampler>

scorefxn: (REQUIRED) Scorefunction to employ
max_samples: Maximum number of total backbone combinations to be sampled.
selection_type: Score criterion for selection: "high" or "low".
pre_scoring_mover: A mover to apply after backbone torsions are set but before final scoring and evaluation (like a min mover or something similar).
pre_scoring_filter: A filter to apply before scoring, which could help avoid wasteful scoring of bad conformations (like a bump check filter).
dump_pdbs: Dump all PDBs, if true; otherwise, there will be no PDB output at all.
pdb_prefix: A prefix to apply to all output PDBs.
nstruct_mode: If true, sample a different set of mainchain torsions for each job; if false, each job consists of the whole mainchain sampling effort.
nstruct_repeats: Number of repeats to perform for each nstruct.
residues_per_repeat: Number of residues in the minimal repeating unit of this secondary structure.
residue_count: Number of residues in the secondary structure exemplar to be sampled.
repeat_count: Number of residue-repeats in the secondary structure exemplar to be sampled.
residue_name: Residue type of which to create the secondary structure, indicated by three-letter code.
residue_name_1: Residue type of which to create the secondary structure, indicated by three-letter code.
residue_name_2: Residue type of which to create the secondary structure, indicated by three-letter code.
residue_name_3: Residue type of which to create the secondary structure, indicated by three-letter code.
residue_name_4: Residue type of which to create the secondary structure, indicated by three-letter code.
cap_ends: If true, adds acetylated and amidated N- and C- termini.

Subtag MainchainTorsion: Tags describing individual torsions in the helix

index: (REQUIRED) Mainchain torsion index indicated
res_index: Residue whose mainchain torsion is being specified (if there is more than one residue per repeat)
value: A single value in degrees, if this torsion ought to be fixed
start: Starting value of a torsion range in degrees
end: Ending value of a torsion range in degrees
samples: Number of samples to be taken of the dihedral range indicated

scripting_documentation/RosettaScripts/xsd/mover_BackboneGridSampler_type