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Re: [modeller_usage] sorting loop refined models.
- To: Knut J Bjuland <knutjbj AT hotmail.com>
- Subject: Re: [modeller_usage] sorting loop refined models.
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Mon, 04 Oct 2010 08:05:30 -0700
- Cc: modeller usage <modeller_usage@listsrv.ucsf.edu>
On 10/2/10 12:30 PM, Knut J Bjuland wrote:
I have written a script that choose the best model for furthor loop
refined. How can I output the dopce score for each loop model and print
out the best loop model. I have tried using this script
...
but I only get molftp.
I assume you mean molpdf here. But you've missed out the first part of
the script, which is the important bit. ;) In order to get the DOPE
score for each loop model, use the loop_assess_methods argument to the
loopmodel constructor, e.g.
b = loopmodel(env, alnfile='alignment.ali',
knowns='5fd1', sequence='1fdx',
loop_assess_methods=assess.DOPE)
Ben Webb, Modeller Caretaker
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