Daniel Russel wrote:
It seems entirely useless to me as written as it can only restrict coordinates relative to the origin.
Hmm, you're absolutely right. I'd assumed that it could actually do something useful, like restrict coordinates to a fixed value. So it's entirely useless to me too.
I guess it was written to use the origin because systems like the NPC are centered at the origin. But that's hardly very general.
I propose getting rid of it and instead providing, as needed, SphericalDistanceRestraint (restraint the distance from a fixed point), CoordinateRestraint (which restricts a coordinate relative to a fixed value) etc. The names could use some work.My suggestion for SphericalDistanceRestraint (which is what I want) is:SphericalDistanceRestraint(Model*, ParticleIndex (or Particle*), Float x, Float y, Float z, ScoreFunc *f);
Sounds fine to me.
Ben
--
http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
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