ADL: Question about Ligand

Gustavo Seabra gustavo.seabra at gmail.com
Mon May 18 08:20:11 PDT 2020


I don't have a reference to cite, but it looks like the file just has a
repeated line with this atom. In this case, it is safe to remove one
occurrence.
--
Gustavo Seabra.


On Sun, May 17, 2020 at 6:50 PM Shabnam N <shabnamn2001 at yahoo.com> wrote:

> Hello,
> I intended to dock "Azithromycin" molecule as a ligand with an enzyme.
> When I open input pdb file of the ligand (Azithromycin), I receive an
> error message as below:
>
> "Azithromycin: :UNK1:H49 and Azithromycin: :UNK1:H49 have the same
> coordinates"
>
> Please help me to solve this error.
> Can I delete H49 (hydrogen number 49) in Azithromycin pdb file, or not? If
> I can delete H49, please mention a valid reference article for citation.
> Thanks
> Sincerely,
> Shabnam N.
>
>
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