Hi Aaron,
> I am somewhat new to PYMOL and was trying to create a selection of atoms.
> What I need to do is select all atoms of a protein that are within 5
> angstroms of an inhibitor (the protein and inhibitor are separate
> molecules). I cannot figure out how to do this from the examples in t
Thanks to the previous responders! In addition, versions 0.82 and beyond
support a more intuitive distance selection phrase:
"... within ... of ..."
For example:
load lig.pdb
load prot.pdb
select site,prot within 6 of lig
show surface, site
Note that if the ligand and protein are in the same
Hello Aaron,
* aaron.b.mil...@gsk.com [2002-10-11 15:36] wrote:
> Hello,
>
> I am somewhat new to PYMOL and was trying to create a selection of atoms.
> What I need to do is select all atoms of a protein that are within 5
> angstroms of an inhibitor (the protein and inhibitor are separate
> mole
select ligands, (byres gmp expand 5 and psd)
selects whole residues from molecule psd within 5 A from gmp
aaron.b.mil...@gsk.com wrote:
Hello,
I am somewhat new to PYMOL and was trying to create a selection of atoms.
What I need to do is select all atoms of a protein that are within 5
angstro
