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,
Hi Rajib Yuktimmana,
I found this paper that describes the conformational preferences of
trans-cyclododecene.
http://pubs.acs.org/doi/abs/10.1021/jo990628w
I hope it helps.
Cheers,
Osvaldo.
On Thu, May 7, 2015 at 5:51 PM, Tsjerk Wassenaar tsje...@gmail.com wrote:
Hi Rajib Yuktimmana,
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
Dear Prof. Wassenaar and Prof. Martin,
We thank you very much for taking time to send us the information we needed.
Regards,
Rajib Yuktimmana
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One dashboard for servers and applications across Physical-Virtual-Cloud
Dear pymol-users
There is some trouble I end up with while using theseus from psico in
pymol. I am not sure what is causing this. Can anyone help me fix this one.
The log I get when executing theseus is given below.
thank you in advance,
Best Regards
Priyan
BEGIN THESEUS 3.0.0
Hi Rajib Yuktimmana,
Cyclododecene has twelve carbon atoms in a ring, and one of the bonds is a
double bond. This means that there are two forms, cis and trans. Neither is
wrong, if not specified explicitly. For the rest, the structure is very
flexible, so there is not a single structure, but
We have searched for cyclododecene and different website has different
structure. Which of these is true? Is it possible for it to be
analysed by PyMol?
Regards,
Rajib Yuktimmana
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One dashboard for servers and
