[IMP-dev] Restraints and Hierarchy

hi,

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.

Has anyway come across this issue before?

thanks, Keren.