Re: [Jmol-users] Displaying ligand environments

[Glen v. G. <gl...@eb...>]

Thanks Maciek,

That worked a treat!

Glen


On 09/01/14 12:01, Maciek Wójcikowski wrote:
> Hi Glen,
>
> Have you tried double within function? I use following command to
> display residues within 10A from any ligand:
>
> display within(groups,within(10,TRUE,*/2))
>
> Note: receptor is model #1 and multiple ligands are in model 2 as
> frames. Change "*/2" to your ligand selection.
>
> ----
> Pozdrawiam,  |  Best regards,
> Maciek Wójcikowski
> ma...@wo... <mailto:ma...@wo...>
>
>
> 2014/1/9 Glen van Ginkel <gl...@eb... <mailto:gl...@eb...>>
>
>     Hi all,
>
>     After loading a PDB file I'm trying to restrict the view to the
>     environment (surrounding residues) of a specific ligand. I'm able to
>     select atoms within a given distance, but for amino acids that are
>     truncated due to the distance cut-off I'd like to show the whole
>     residue. Put another way, I want to display complete residues (Nucleic
>     or Protein monomers, interacting heterogens and co-factors) within a
>     given distance of a ligand.
>
>     I've looked through much documentation and many website but I
>     can't seem
>     to find the necessary commands to do this.
>
>
>     If any of you have suggestions I'd be most eager to hear from you.
>
>     Kind regards,
>
>     Glen
>
>
>     --
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