2010/11/5 Angel Herráez <angel.herr...@uah.es>
> Hello Christoph
>
> Not sure about the rationale of the error, but t be safe I think you should
> create the isosurface
> for what you have selected --is that what you want? Then whatever is
> visible or not shouldn't
> matter, I think
>
> select 20-22:A and 2.1
> isosurface isosurface_pdb1sbt_ent_19_21 select(selected) ignore(!selected)
> solvent on;
>
yes, that's the issue. There are two aspects to this: SELECT and IGNORE.
It's easy enough to know what is selected, so that select(...) defaults to
the current selection. But IGNORE does not default to !selected, because we
don't necessarily want to ignore any atoms. (We might get a fully enclosed
surface instead of a surface fragment, for example.)
Let's see....
1) We ignore all atoms not in the model of the selected atoms -- this is
automatic.
2) We specify a model if all selected atoms are in a single model.
3) We throw the error if atoms from more than one model are selected.
4) We assign the isosurface to the given model, regardless of what models
are visible.
How does that sound?
>
> (I'm not sure what the "on" is doing after solvent)
>
> or
>
> isosurface isosurface_pdb1sbt_ent_19_21 select(20-22:A and 2.1)
> ignore(!(20-22:A and 2.1)) solvent on;
>
>
>
>
>
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