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 -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage