Re: [modeller_usage] The number of the models
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.
Best wishes,
Tom Duncan
>>> BinBin Liu 01/17/04 08:26AM >>> Dear Modellers, happy new year! I set the starting and ending model number 1 and 10 respectively. But modeller only wrote eight .B9999xxxx files to me. It is from .B99990002 to ..B99990009. Does anybody know the reasons? Many thanks!
BinBin
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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Modeller Caretaker -
Thomas Duncan