helixmc.score.ScoreTorsionTrap¶

class helixmc.score.ScoreTorsionTrap(stiffness, target_link)¶

Score function for torsional trap.

Parameters:

stiffness : float

The stiffness of the torsional trap, in pN.Å.

target_link : float

Center of the harmonic torsional trap (link), in radians.

Attributes

stiffness	(float)
target_link	(float) See Parameters section above.

__call__(pose)¶

Score the input pose.

Parameters:

pose : HelixPose

Input pose for scoring.

Returns:

score : float

Score of the pose.