Sure, but I did have to change the logic:
version=12.1.31_dev
# new feature: load 1blu.pdb filter "*.CA | HETATM,![HOH]"
# - "|" means "OR", so this reads:
# load only alpha carbons OR (HETATM and not HOH)
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
uploading now...
Bob
On Tue, Jan 11, 2011 at 4:52 PM, Eric Martz <[email protected]>wrote:
> I'm not sure that we need any more logic, Bob, just a filter "hetatm"
> parameter that will pull in all HETATM records. Could be limited to
> PDB format if that helps. This already works:
>
> load =3d6y filter "*.ca,*.p,![da],biomolecule 1"
>
> I get protein and nucleic backbone, with breaks in the nucleic where
> the deoxyadenines were filtered out. So I think this could work with
> no more logic, just the "hetatm" parameter being added:
>
> load =3d6y filter "*.ca,*.p,hetatm,![hoh],![so4],biomolecule 1"
>
> At 1/11/11, Robert Hanson wrote:
> >right, the filter syntax is intentionally very simple and not very
> >sophisticated. I wonder if allowing a filter specifically for HETATM
> >would work -- true it would allow water and other solvent-related
> >atoms in, but that might not be so bad. It's possible that we could
> >adapt the filter to allow some minimal amount of and/or logic.
> >
> >
> >
> >--
> >Robert M. Hanson
> >Professor of Chemistry
> >St. Olaf College
> >1520 St. Olaf Ave.
> >Northfield, MN 55057
> ><http://www.stolaf.edu/people/hansonr>
> http://www.stolaf.edu/people/hansonr
> >phone: 507-786-3107
> >
> >
> >If nature does not answer first what we want,
> >it is better to take what answer we get.
> >
> >-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Protect Your Site and Customers from Malware Attacks
Learn about various malware tactics and how to avoid them. Understand
malware threats, the impact they can have on your business, and how you
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