filter_linear_bond_continuity

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

Filter for atoms such that their bond length with the next atom lies within the provided boundaries.

The result will depend on the atoms’ order. For instance, consider a molecule:

   C3
   |
C1-C2-C4

If the order corresponds to [C1, C2, C4, C3], the output will be [True, True, False, True]. Note that the trailing atom will always evaluate to True.

Parameters:

array: AtomArray

The array to filter.

min_len: float

Minmum bond length

max_len: float

Maximum bond length

Returns:

filterndarray, dtype=bool

This array is True for all indices in array, where an atom has a bond length with the next atom within [min_len, max_len] boundaries.

Notes

Note that this function purely uses distances between consecutive atoms. A potential BondList is not considered here.