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 > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev