[chimera-dev] minimize in IDLE and command line

Elisabeth Ortega eortega at klingon.uab.es
Thu Apr 7 02:58:27 PDT 2011


Dear Chimera Dev. Team,


I have a problem when I'm trying to launch "minimize" in the Python IDLE.

If I write in the IDLE:

>>> import MMMD
>>>
MMMD.base.Minimizer(chimera.openModels.list(modelTypes=[chimera.Molecule]),nsteps=0)

I get (in the IDLE):

<MMMD.base.Minimizer instance at 0x9e0978c>

But if I write in the command line:

minimize nsteps 0

I get (in the IDLE and in the message bar):

>>> Initial energy: 475.211926


Anybody has any idea about that?


Kind regards.


Elisabeth Ortega - Carrasco
Ph.D. Student @ Universitat Autònoma de Barcelona
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