Dear Ahsan,
> I have a system in which protein in covalently bound to the
> boron containing ligand with boron atom. I am confused how to proceed with
> this system.
> I have basic doubt that if I follow the normal protocol and use antechamber
> for ligand I will gonna miss the covalent bond between ligand and protein.
Please see R.E.D. Server Dev./PyRED at
http://q4md-forcefieldtools.org/REDServer-Development/
You will be able to generate potentially any molecular fragment
starting from a whole molecule
all the elements of the periodic table are handled
you will be able to provide missing FF parameters
as well defining new atom types, and far more...
See tutorials: http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php
FAQ: http://q4md-forcefieldtools.org/REDServer-Development/faq.php
Documentation:
http://q4md-forcefieldtools.org/REDServer-Development/Documentation/
regards, Francois
F.-Y. Dupradeau
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http://q4md-forcefieldtools.org/FyD/
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Received on Tue Nov 15 2016 - 00:00:02 PST
