Interacting particles and score states
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?
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? > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
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 kerenl@salilab.org 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? >> _______________________________________________ >> IMP-dev mailing list >> IMP-dev@salilab.org >> https://salilab.org/mailman/listinfo/imp-dev > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
participants (2)
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Daniel Russel -
Keren Lasker