sure enough. OK. Definitely a strange bug. Thanks.
On Thu, Oct 2, 2014 at 1:40 PM, Angel Herráez <angel.herr...@uah.es> wrote:
> Thanks, Bob, but that's not the case.
> 1. The ligands affected are similarly buried to the ones that work.
> 2. I had forgotten about "only", but I guess it does the same as using the
> select & ignore pair, which also has the problem --although with different
> ligands.
>
> See the example PDB IDs that I provided, 1hho (with two symmetric heme
> groups) and 2ejf
>
> > it might be highly fragmentary or even not present if buried because
> you have not added the
> > keyword ONLY after that selection.
>
> isosurface select(ligand) only molecular;
> isosurface delete;
> isosurface select(ligand) ignore(not ligand) molecular;
>
> On 1hho , "select ligand" or "select "[HEM]" selects the two groups,
> but isosurface chooses only one (in the B chain).
>
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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