biotite.structure.filter_linear_bond_continuity¶
- biotite.structure.filter_linear_bond_continuity(array, min_len=1.2, max_len=1.8)[source]¶
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 toTrue
.- 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.