moleculekit.dihedral module

moleculekit.dihedral.dihedralAngle(pos, box=None)

Calculates a dihedral angle.

Parameters:

• pos (ndarray) – An array of 4x3 size where each row are the coordinates of an atom defining the dihedral angle

• box (ndarray | None) – The size of the periodic box

Returns:

angle – The angle in radians

Return type:

float