
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

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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participants (2)
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Conrad Huang
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Elisabeth Ortega