Re: [PyMOL] finding complete residues within a RANGE OF distance cutoff

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

Hi Anasuya,

your question is related to this one from September last year:
http://www.mail-archive.com/pym...@li.../msg09588.html

In short (example with heme as ligand):

select ligand, chain A and resn HEM
select shortrange, byres (polymer within 4.5 of ligand)
select midrange, byres ((polymer within 9 of ligand) and not shortrange)

Relevant reading:
http://www.pymolwiki.org/index.php/Selection_Algebra

Cheers,
   Thomas

On 02/28/2012 08:10 PM, Anasuya Dighe wrote:
> Hello ,
>
> I want to extract out complete amino acid residues which fall "within a radius
> of 4 to 9 Angstroms from the ligand".
>
> What do I do in such a case, given the pdb id's, chain ID,  the name of the
> ligand and its residue id?
>
> PS: I want to avoid, extracting out cmplete residues within a 0-4.5A first AND
> THEN getting residues from 4.5-9A.
>
> Is there a direct way to do this?
>
> Please let me know.
>
> - Anasuya
>
>


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