ADL: (no subject)

Diogo Martins diogo.stmart at gmail.com
Thu Nov 5 14:27:10 PST 2020


Hi,

The output of autodock does not have bond order. Most likely the
visualization software is guessing bond order from atomic coordinates and
atom types.

Best regards

On Thu, Nov 5, 2020 at 9:12 AM Nupur Munjal <nupurmunjal at gmail.com> wrote:

> Hello All,
>  I am using AutoDock for docking of molecules optimized in Gaussian
> software, but after docking when i visualize the complex in 3D visualizer
> the bond order in the ligand molecules are getting changed. Can please
> anyone help me in sorting this out.
>
> --
> Kind Regards
> Nupur Munjal
> Research Assistant
> Institute of Bioinformatics
> International Tech Park
> Discoverer, 7th Floor
> Whitefield, Bangalore - 560066
> India
>
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> 11/05/20,
> 10:36:04 PM
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