Re: [modeller_usage] weight restraints

On 5/27/10 12:17 PM, meier@lmb.uni-muenchen.de wrote: > Ok, suppose I have a single restraint for every template and a method > to combine them in an apropriate way. It is possible to weight a set > of restraints, e.g. CA-CA distances for all templates by writing > e.g.: env.schedule_scale=physical.values(default=1.0, ca_distance=2)

Sure. You just have to put your restraints in the relevant group (e.g. in this case, physical.ca_distance) and the weight will apply to all the restraints in that group.

> So what I basically wanted to know is how this (up-)weighting > (ca_distance=2) is implemented in Modeller.

There's nothing complicated about it. The restraint function is simply multiplied by the weight.

Ben Webb, Modeller Caretaker