Autogenerated Tag Syntax Documentation:


A cst generator that creates Dihedral constraints for specified residues using a residue selector. Uses CircularHarmonic constraints, since CircularGaussian func does not exist. By default, works on Protein and carbohydrate BackBone dihedrals (see dihedral option), however CUSTOM ARBITRARY DIHEDRALS can be set. See the dihedral_atoms and dihedral_residues tags to set a custom dihedral.

Will only work on ONE type of dihedral angle to allow complete customization.

<DihedralConstraintGenerator name="(&string;)" dihedral="(&string;)"
        sd="(&real;)" dihedral_atoms="(&string;)" dihedral_residues="(&string;)"
        residue_selector="(&string;)" />
  • dihedral: The cannonical dihedral being set. Currently, only Backbone dihedrals are accepted here. Works for proteins and carbohydrates
  • sd: The standard deviation used for the CircularHarmonic Func. Default is 16 degrees, THis which was found by taking the mean SD of all dihedral angles of either PHI or PSI for each North (Antibody) CDR Cluster (CDRs are the main antibody loops). This is a fairly tight constraint and allows a bit of movement while not changing overall struture much.
  • dihedral_atoms: Comma-separated list of atom names. FOUR atoms used for calculation of a custom dihedral. Must also pass dihedral_residues.
  • dihedral_residues: Comma-separated list of resnums. Must be FOUR residues to define a custom dihedral. See RosettaScripts resnum definition. Rosetta or pose numbering (ex. 23 or 42A). Ranges are accepted as well. These are completely arbitrary and DO NOT have to be in order. Must also pass dihedral_atoms.
  • residue_selector: The name of the already defined ResidueSelector that will be used by this object