ADL: ligand preparation in vina.

Diogo Martins diogo.stmart at gmail.com
Sun Jul 31 10:52:34 PDT 2016


Hi,

It should be assigned automatically, but it's always a good idea to check.
Bonds rotate depending on their chemical nature (single/double bonds,
resonance, aromaticity).

On Jul 31, 2016 10:18 AM, "neelam wafa" <neelam.wafa at gmail.com> wrote:

> AOA,
>
> while selecting torsion for ligand with autodock tools we change the
> rotatable and non-rotatable bonds. what is the criteria for it? how
> can we decide which bonds should be rotatable and which non rotatble?
>  PLEASE can anyone help me with this issue?
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