Daniel Russel wrote: > I think it would be good to have an AnglesRestraint which stores a list > of chains and applies an AngleRestraint-like restraint to each triple in > each chain. It is easier to set up and maintain than a whole mess of > AngleRestraints and more efficient too. > > Comments?
Why do it this way? It's hardly in line with the way distance restraints are now handled. I instead suggest a TripletScore class which works like the existing SingletonScore and PairScore classes. You get a bit more flexibility that way, surely.
Ben