Hi Spencer,
thanks for the feedback.
Do you know the "organic" keyword? This should usually match what you
consider the ligand. It will not distinguish between covalently bound
and not covalently bound, though.
select ligand, organic & !(bymol polymer)
select ptm, organic & (bymol polymer)
Chee
Excellent! I had previously been using things like 'not elem c+n+o+h+s' in
my scripts. Using 'metal' will match my intent much better. 'Sidechain'
will be appreciated as well.
I would suggest 'ligand' and 'ptm' selectors to distinguish nonbonded and
covalently bonded hetatms. Although I'm not sure
Greetings,
we added "backbone", "bb." and "sidechain", "sc." keywords (SVN rev
4041). They select polymer (protein and nucleic acid) backbone and
sidechain atoms, based on PDB atom names. The internal GUI menu items
with "main chain" and "side chain" use the new keyword, which adds
nucleic acid su
see http://chemapps.stolaf.edu/jmol/docs/#atomproperties for several
suggestions.
On Tue, Aug 13, 2013 at 10:56 AM, Thomas Holder <
thomas.hol...@schrodinger.com> wrote:
> Greetings,
>
> this is a quick announcement that we added the "metals" keyword to the
> selection language (SVN code revisio
Greetings,
this is a quick announcement that we added the "metals" keyword to the
selection language (SVN code revision 4039).
Since PyMOL's selection language is one of the powerful core features
that make so many complex tasks so easy, we plan to add more useful
keywords and operators. For exam
