4 Oct
2010
4 Oct
'10
8:05 a.m.
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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