Re: [modeller_usage] Loop refining

18 Apr 2014


      On 4/18/14, 2:58 AM, James Starlight wrote:
> 1)Does it possible to make some corrections in the below script to
> refine all 6 loops at one task keeping intact interloop  S-S bonds. E.g
> I'd like to refine regions 51-58,  87-94, 127-141,  163-195,  228-233
> and  260-270
Of course - that's absolutely trivial, e.g.
def select_loop_atoms(self):
           return selection(self.residue_range('51', '58'),
                            self.residue_range('87', '94'),
                            self.residue_range('127', '141'))
and so on.
> 2) What are the most trivial way to rank refinement for all N models?
Just take the best scoring single model.
Ben Webb, Modeller Caretaker
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