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Re: [IMP-dev] AnglesRestraint




On Feb 13, 2008, at 12:15 AM, Ben Webb wrote:

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.
True. I guess I did it for the same reason you did the AngleRestraint :-)

Anyway, here is the more flexible patch, hopefully not missing too many pieces

Attachment: angles
Description: Binary data




 %pythonprepend ChainTripletRestraint::ChainTripletRestraint %{
        args[0].thisown=0
  %}
  %pythonprepend AngleTripletScore::AngleTripletScore %{
        args[0].thisown=0
  %}