There's an easy solution if you're using Unix.
cut -c 1-60,70-79 filename.pdbqt > filename.pdb
Is one of the solutions proposed by the people of AutoDock and it's always
worked for me.
El 24 ene. 2018 1:51 PM, "Geoffrey Hutchison" <geoff.hutchi...@gmail.com>
escribió:
> > I used openbabel to do this. It worked mostly fine but with a few
> compounds, specially with the ones have protonated Nitrogen, gets destroyed.
>
> What exactly do you mean by "gets destroyed?" Being more specific, or
> ideally providing a file and/or graphic would be very helpful.
>
> Best regards,
> -Geoff
>
> ---
> Prof. Geoffrey Hutchison
> Department of Chemistry
> University of Pittsburgh
> tel: (412) 648-0492
> email: geo...@pitt.edu
> twitter: @ghutchis
> web: https://hutchison.chem.pitt.edu/
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