biotite.structure.check_backbone_continuity

biotite.structure.check_backbone_continuity(array, min_len=1.2, max_len=1.8)

Check if the (peptide or phosphate) backbone atoms have non-reasonable distance to the next atom.

A large or very small distance is a very strong clue, that there is no bond between those atoms, therefore the chain is discontinued.

Parameters

arrayAtomArray

The array to be checked.

min_len, max_lenfloat, optional

The interval in which the atom-atom distance is evaluated as bond.

Returns

discontinuityndarray, dtype=int

Contains the indices of atoms after a discontinuity.

See also

filter_linear_bond_continuity

A function to filter for atoms preserving the continuity.

filter_peptide_backbone

A function to filter for peptide backbone atoms.

filter_phosphate_backbone

A function to filter for phosphate backbone atoms.