That means you have extra or misnamed atoms in your pdb that don't
belong in HIE. Read up on what the Histidine residue types consist of;
I've never modeled it myself, or once maybe.
Bill
On 6/10/17 10:49 PM, Mustafa Alhaji Isa wrote:
> I want to create topology and coordinate files of protein-ligand
> complex. but when I load the complex it display the below commands and
> subsequently failed the create the files
>
> Created a new atom named: HD2 within residue: .R<ASP 80>
> Created a new atom named: HD1 within residue: .R<HIE 137>
> Created a new atom named: HD1 within residue: .R<HIE 193>
> Created a new atom named: HD1 within residue: .R<HIE 408>
> Created a new atom named: HD1 within residue: .R<HIE 410>
> total atoms in file: 6041
> Leap added 10 missing atoms according to residue templates:
> 10 H / lone pairs
> The file contained 5 atoms not in residue templates
>
>
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Received on Sat Jun 10 2017 - 23:00:03 PDT
