You can use XYZ::set_coordinates_are_optimized() to reduce the work a bit.
As another helper, you can use the IMP::SaveOptimizeds class to save the current state about what is optimized and then restore it when you are done.
As an alternative, if you want a softer version of keeping things in place, you can use the DistanceToSingletonScore to attach a particle to a location with a spring.
--Daniel
On Apr 28, 2011, at 6:46 PM, Javier Velazquez wrote:
>
>
> I would like to anchor a component of a complex while the others are
> optimized. With the MonteCarlo sampler is easy, just not adding a mover
> to the component. But ConjugateGradients moves the position anyway. Is
> there any way to nicely do this, or do I have to go to each particle of
> the component and set_is_optimized as False for all the x,y,z keys?
>
>
> --
> Javier Velazquez
> Postdoc at Salilab, UCSF
> 1700 4th st. Byers Hall, office 503.
> 94158 San Francsico
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