On a related note, it might be good to have restraintsets also store
score states so you can bundle all needed stuff together.
On Mar 12, 2009, at 6:07 PM, Keren Lasker <> wrote:
this sounds like a set in the right direction, but I'll have to
think about it in depth.
I'll post a reply later this week.
On Mar 12, 2009, at 2:47 PM, Daniel Russel wrote:
The graph of interacting particles returned by calling
get_interacting_particles() on all the restraints doesn't reflect the
true interactions as soon as you involve things like centroids, rigid
bodies or covers. One solution would be to allow ScoreStates to
produce lists of interacting particles as restraints currently do
(and
have Domino add these lists to its graph). Other thoughts? Keren?
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