Re: [modeller_usage] distance restraint

On 8/13/14, 10:43 AM, flavio seixas wrote: > NameError: global name 'rsr' is not defined > > > I am certain that it must be an script error, but I do not know how to > fix (I am not familiar with python script).

There is a great Python tutorial at www.python.org. You have an elementary error in your script - you have to put your custom restraints in the special_restraints() method - i.e. move the two lines starting with rsr.add(... to immediately after the line starting with self.restraints.symmetry.append(...

BTW, if you really have two chains in your model, you'll need to specify the chain ID for each atom in your restraints or Modeller won't be able to find it, e.g. NZ:38:A rather than NZ:38.

Ben Webb, Modeller Caretaker