Hi Dmitry,
You have to load both molecules and then you could use the command
fit x-mol, dft-mol
You can find more examples and options on the PyMOL wiki,
http://www.pymolwiki.org/index.php/Fit
Cheers,
Osvaldo.
El may 7, 2015 6:00 a.m., "Dmitry B. Eremin" <e...@ioc.ac.ru> escribió:
> Hello everyone,
>
> I have a problem:
> I want to calculate RMS or RMSD for to structures one i’ve got from x-ray
> structure analysis and another from DFT calculations, but still can not
> understand how to perform it.
>
> hope You can help me.
>
> Sincerely,
> Eremin D.,
> Section of structural studies,
> Laboratory of metal-complex and nano-scale catalysts.
> N. D. Zelinsky Institute of organic Chemistry RAS,
> 119991, Moscow, Russia, Leninsky prosp., 47.
>
>
>
>
>
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Deep dive visibility with transaction tracing using APM Insight.
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