RE: [PyMOL] Need help with selections

[DeLano, W. <wa...@su...>]

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 object and the =
ligand isn't composed of PDB HETATM's, then you may need to specifically =
exclude their presence from the surface calculation:

flag ignore,lig
rebuild

Cheers,
Warren

> -----Original Message-----
> From: aar...@gs... [mailto:aar...@gs...]
> Sent: Friday, October 11, 2002 12:36 PM
> To: pym...@li...
> Subject: [PyMOL] Need help with selections
>=20
>=20
> Hello,
>=20
> I am somewhat new to PYMOL and was trying to create a=20
> 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=20
> examples in the
> manual. I will want to use this selection to make a surface of the
> selection afterward.
>=20
> Thanks,
>=20
> Aaron
>=20
>=20
> Aaron B. Miller
> Computational Chemist
> GlaxoSmithKline R & D
> Five Moore Drive, North M1407
> RTP, NC 27709-3398
> (919) 483-6069  Fax (919) 315-0430
> Aar...@gs...
>=20
>=20
>=20
>=20
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>=20