I have briefly used OMEGA and ROCS from OE. For docking, I use Vina. BTW, what is your specific question (parametrizing a docked ligand, etc….)?
Regards,
Raman
From: Debarati DasGupta<mailto:debarati_dasgupta.hotmail.com>
Sent: 09 September 2020 00:01
To: amber.ambermd.org<mailto:amber.ambermd.org>
Subject: [AMBER] OE Tool kit
Hello,
Is there anyone in the mailing list who uses OpenEye docking tools ( Omega for conformer generation, FRED, HYBRID )?
I am trying to set up some docking and facing some issues. Any help will be deeply appreciated.
Regards
Debarati
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Received on Wed Sep 09 2020 - 03:00:02 PDT
