Subject: Re: [modeller_usage] The number of the models
From: Modeller Caretaker <>
Date: Tue, 20 Jan 2004 12:24:48 -0800
Cc:
On Mon, Jan 19, 2004 at 10:05:52AM -0500, Thomas Duncan wrote:
> I believe that, when MODELLER starts any partcular model (each from a
> different randomly perturbed version of the starting model (.ini), it will
> abort that model if the scoring function exceeds some upper limit. Thus, you
> may get fewer than the total models requested if this occurs.
The call to WRITE_MODEL should happen regardless of the energy function;
see the __single_model.top script. The optimization itself may fail (see
the single_model_pass subroutine in the same script) but if that occurs,
you should see some explanatory output in the .log file. See also
http://salilab.org/modeller/manual/node115.html
Ben Webb, Modeller Caretaker
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