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" escribió:
> Hello everyone,
>
> I ha
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,
Laborator
