Dear Rajib & Yuktimmana,
The most reliable computational tool to determine the lowest energy
conformation of a molecule is to use quantum chemical computations (using
software like Gaussian or GAMESS). Within PyMOL you can try with the
optimize <http://www.pymolwiki.org/index.php/Optimize> plugin. This plugin
allows you to perform a conformational search using a classical force
field. Classical force fields made stronger assumptions and thus are not as
reliable as quantum chemical computations. Whether you need to perform
quantum computations or you are OK with a classical force field it’s
depends on exactly what your problem is. If you need more guidance on what
tools are best suited for your problem this book
<http://www.springer.com/us/book/9781441963505> is a good option to read.
Cheers,
Osvaldo.
On Thu, May 7, 2015 at 5:22 PM, bkpsusmitaa <bkpsusmi...@gmail.com> wrote:
> 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 applications across Physical-Virtual-Cloud
Widest out-of-the-box monitoring support with 50+ applications
Performance metrics, stats and reports that give you Actionable Insights
Deep dive visibility with transaction tracing using APM Insight.
http://ad.doubleclick.net/ddm/clk/290420510;117567292;y
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