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Re: [modeller_usage] Loop refining
- To: James Starlight <jmsstarlight AT gmail.com>, modeller_usage <modeller_usage@listsrv.ucsf.edu>
- Subject: Re: [modeller_usage] Loop refining
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Fri, 18 Apr 2014 08:38:36 -0700
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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