Re: [PyMOL] selecting atoms around a ligand in a protein structure

[Thomas H. <sp...@us...>]

Hi Anasuya,

"br." is short for "byres" (by residue). So just drop that from your 
selection expression.

select site, (resn FAD and chain A and resi 45) around 4.5 and not HET

Cheers,
   Thomas

Anasuya Dighe wrote, On 07/23/12 09:00:
> Hi Pymol-users,
> 
> I need to select only the atoms [and NOT complete amino acid residues] which are
> lying in a radius of 4.5 Angstroms from the ligand from a ligand-bound protein
> structure.
> I am aware that the command: select site, br. resn FAD and chain A and resi 45
> around 4.5 and not HET    selects complete amino acid residues which are lying
> in the vicinity of the ligand within a radius of 4.5 Angstroms.
> However, I am only interested in selecting all the atoms which are present in
> this region and "not the complete amino acid residues."
> How can this be done?
> Please let me know.
> 
> - Anasuya

-- 
Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen