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

[Ben Webb <>]

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
--
                      http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle