[chimera-dev] minimizer

Conrad Huang conrad at cgl.ucsf.edu
Thu Mar 17 18:31:42 PDT 2011


You should be able to pass "nogui=True" as one of the arguments to 
either MMMD.cmdline.minimizer or MMMD.base.Minimizer, and Chimera is not 
supposed to bring up any dialogs.  If that does not work properly, 
please let me know and we will fix it.

Conrad

On 3/16/2011 2:46 PM, Elisabeth Ortega wrote:
> Dear Chimera Dev. Team,
>
>
> I have a question about the Minimizer. I want to use it in the
> Python/IDLE to calculate the initial energy of a system during the
> execution of one of my scripts,
> but I don't found any way to call the function Minimizer and obtain the
> numeric result without show the addCharge window if I have a metallic
> system.
>
> What can I do to call this function correctly?
>
>
> Thank You
>
> Elisabeth Ortega
> Universitat Autònoma de Barcelona
>
>
>
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