>
> Sorry, I was talking with my wife while writing, and that's not an option
> for this case :)
>
:))
And what's your definition of "ligand" in the PDB? :)
>
Well, it's on HETATM lines and not a familiar molecule like HOH or PO4 for
example.
Anyway, if you don't want to write a script to modify H atom names (should
> be easy)
>
I'm not saying that I don't want to wirte a script. I just wonder how
should I modify it appropriately. Should it respect the heavy atoms whose H
or just mark continuously like H1, H2, H3 from top to bottom?
I don't know.
>
Well, aren't you a developer of it? I'm sorry if this is too directly.
Anyway, thank you so much for helping me.
On Fri, Jul 4, 2014 at 3:46 AM, Pascal Muller <pascal.jm.mul...@gmail.com>
wrote:
> you may use a text editor (e.g. vi, two steps, if molecule names don't
>> have double H),
>>
>
> Sorry, I was talking with my wife while writing, and that's not an option
> for this case :)
>
> Best,
> Pascal
>
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