fold_bp¶
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pmlbeta.setbetahelix.
fold_bp
(sstype: str, selection: str = '(all)')[source]¶ DESCRIPTION
Adjust the torsion angles of an alpha- or beta-peptide to fold it into the desired secondary structure
USAGE
fold_bp sstype [, selection]
ARGUMENTS
- sstype = string: the desired secondary structure. The following possibilities exist:
- a name from the secondary structure database (see command ssdb_list)
- two or three (for alpha- and beta-amino acids, respectively) space-separated floating point numbers in parentheses, corresponding to the backbone dihedral angles
The such given secondary structure will be applied to all residues in the selection.
Additionally, a space-separated list of the same length as the residues in the selection can be given in square brackets, containing entry names or angle tuples (or a mix of them), corresponding to the residues.
- selection = the selection to operate on. Must be a single peptide chain with
- unique and consecutive residue IDs (default: all)
EXAMPLES
fold_bp H14M, model valxval
fold_bp (-140.3 66.5 -136.8), model valxval
fold_bp [(-140.3 66.5 -136.8) (180 180 180) H14M], model tripeptide
SEE ALSO
ssdb_add, ssdb_del, ssdb_dihedrals, ssdb_resetdefaults, ssdb_list