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Re: [modeller_usage] Optimization of an existing loop model
- To: Claire Marks <clairemarks89 AT googlemail.com>, modeller_usage@listsrv.ucsf.edu
- Subject: Re: [modeller_usage] Optimization of an existing loop model
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Wed, 17 Jan 2018 17:44:33 -0800
On 1/17/18 8:16 AM, Claire Marks wrote:
I would like to use MODELLER to optimize some models that I have
generated as part of a loop prediction protocol.
...
This still generates the initial 'straight' conformation that the
MODELLER loop modelling algorithm starts from; it doesn't start from the
loop conformation in the file I provided.
You can override this behavior by subclassing loopmodel and overriding
the build_ini_loop() method. See
https://salilab.org/modeller/9.19/manual/node95.html
Ben Webb, Modeller Caretaker
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