And finally, Dr. Timofey Tyugashev, who was the first to post his
response to my query, perhaps put in a comma between "Bond" and
"Dissociation" in the subject head, "[PyMOL] Is it possible in Pymol
to determine Individual Bond, Dissociation Energy for any Bond in
organic molecules?" which changed
[Quote]
On 02/06/2017, Osvaldo Martin wrote:
...send me a private message if you want further details on
this topic ...[/Quote]
Sir, I wouldn't want to waste your precious time!
Not chemical reaction per se, Sir, but only Bond Dissociation Energies
of individual bonds breaking and bonds forming ..
[Quote]...structural determination is performed with different
programs that have nothing...[/Quote]
Different programs?!
Could you elaborate further please, Sir!
What would be a comprehensive program for QM determination of
individual Bond Dissociation Energy for any bond (particularly,
organic)?
No, Dr. Wassenaar, Sir! People have confused me. After two years, I am
told that:
[Quote]PyMol does not use QM methods. It also does not "determine the
structures of molecules" [/Quote]
I need my illustrious peers to clarify me regarding all my queries in
all my posts in the present thread.
--
How come we see structures of molecules in PyMol?
https://en.wikipedia.org/wiki/PyMOL
--
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Thank you, Dr. Tyugashev, for replying to my query.
Doesn't PyMol also use those QM methods to determine the structures of
molecules?
Then why not PyMol be capable of yielding such values for individual bonds?
--
Check out
Hello, Illustrious Members!
I have a query:
Let us assume one is in possession of a particular named organic reaction.
In that reaction a set of reactants change into a set of products.
It is very easy to observe in those named reactions as to which bonds
have broken down to form other newer bonds.
@Dr. Abdelzaher,
Please don't feel terrible!
Sorry to jump in to the thread.
You have some of the nicest people around in this forum, especially,
Dr. Holder and Dr.Wassenaar.
Just remember to likewise offer to help newcomers and you will have
played your part well.
Regards,
Rajib
A Layperson
On 06
