Re: [IMP-dev] Restraints and Hierarchy

[Keren Lasker <kerenl@salilab.org>]

thanks Ben !
but do you mean  to keep each gravity
> center particle at the center of mass of its CHILDREN particles.
?
On Jan 26, 2009, at 7:46 AM, Ben Webb wrote:

> Keren Lasker wrote:
> > Lets say I have two proteins A and B and I want to calculate a  
> > distance
> > restraint between them.
> > Usually it would be preferable to calculate the distance restraint
> > between their centroids.
> > However, their centroids are derived from the positions of their  
> > atoms.
> > So - even if I calculate the centroids of the protein particle and  
> > add
> > XYZ attributes, the calculating of the distance restraint will be  
> > true
> > for the first time - but the state of the XYZ attributes of the  
> > protein
> > particles should be updated according to the atom positions.
> One option is to use a GravityCenterScoreState to keep each gravity
> center particle at the center of mass of its parent particles.
>
> 	Ben
> --
> ben@salilab.org                      http://salilab.org/~ben/
> "It is a capital mistake to theorize before one has data."
> 	- Sir Arthur Conan Doyle
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