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
The processes of formation or breakage of any chemical bonds are studied
by QM methods, so you need software working with electronic structures
and running QM calcs. (Like Gaussian, GAMESS, ORCA, Firefly, Priroda,
NWChem or something similar...)
31.05.2017 19:16, pymol-users-requ...@lists.sou
Hello pymol-users, fyi ...
24th Annual Tcl/Tk Conference (Tcl'2017)
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Notification to author
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.
