check_duplicate_atoms

biotite.structure.check_duplicate_atoms(array)

Check if a structure contains duplicate atoms, i.e. two atoms in a structure have the same annotations (coordinates may be different).

Duplicate atoms may appear, when a structure has occupancy for an atom at two or more positions or when the altloc positions are improperly read.

Parameters:

arrayAtomArray or AtomArrayStack

The array to be checked.

Returns:

duplicatendarray, dtype=int

Contains the indices of duplicate atoms. The first occurence of an atom is not counted as duplicate.