[IMP-users] restraint based on pre-calculated scores

Hi,

I have a custom MonteCarlo mover that randomly samples positions of a rigid body from predefined list of transformations. Each transformation corresponds to some position, and for each position I have precalculated a score. Now I would like to have a restraint that scores the positions generated by the mover according to these precalculated scores. The restraint would have to find out which transformation was used for the move, get the index of the transformation in the list and then get the score. Would you have a suggestion how to implement this? I can store the current index in the mover object but then I don't know how to access the movers from the restraint object.

Thanks in advance, Jan