ADL: add H

Florenci V. Gonzalez fgonzale at qio.uji.es
Thu Feb 14 09:54:14 PST 2008


Hi Tomek,
         thanks for your message, I will try with other program.

Floren



At 16:57 14/02/2008, you wrote:
>Hi Floren,
>
>Try any molecular modelling software such as: Chimera, Pymol, VMD and
>probably many other.
>There should be an option to add Hydrogen - depending on software you would
>be able to add to selected atom or program would search for any missing
>hydrogen atoms.
>I hope this would help you.
>Best
>
>Tomek Wlodarski
>
>On Thu, Feb 14, 2008 at 12:52 PM, Florenci V. Gonzalez <fgonzale at qio.uji.es>
>wrote:
>
> > Hello,
> >        during the editing of the PDB file of my molecule I need to delete
> > an inhibitor structure attached to it because the inhibitor is
> > covalently bound through a C-S bond, then once the inhibitor is
> > removed I want to add a hydrogen atom to the sulfur atom of the
> > protein and here comes the question: how can I add that hydrogen to
> > the sulfur atom before running the docking?
> > Thanks.
> >
> > Floren
> >
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