Re: [IMP-users] problems with a sample script (basic IMP optimization)

On 7/27/10 9:10 AM, Benjamin SCHWARZ wrote: > So, I understand that diverse restraints may have diverse scoring > schemes and images ( e.g. [0,1] for FittingRestraint and [0,+M] for > ExcludedVolumeRestraint, with M potentially very high)… And now, what to > do with it ? :) > There seem to be no "pythonic" way to modify constants in front of the > diverse restraints, or to compose a restraint with a function to > modulate its score. My lucky guess is : go for C++ to create a new > restraint by composing existing restraints… Am I correct ?

Yes, when combining very different restraints, weighting may need to be considered. You can weight a Restraint by putting it in a RestraintSet and calling that object's set_weight() method.

Ben