Great, that's exactly what I was looking for. Thanks!
Nelson Liu
On Thu Jan 08 2015 at 3:50:31 AM Rolf Huehne <rhue...@fli-leibniz.de> wrote:
> On 01/08/2015 12:22 PM, Nelson Liu wrote:
> > Good Morning,
> > Is there any way to get details about currently selected atoms in the
> > console? I know you can use labels, but they are a bit hard to read. e.g.
> > if I selected all beta pleated sheets in a protein (select sheets), how
> > could I output the residue #'s occupied by the beta pleated sheets as
> well
> > as their constituent amino acids?
> >
> You can customize labels to your needs.
>
> The following example uses the '.label()' function instead of the
> 'label' command:
>
> print {selected and *.CA}.label("%5[resno] %4[group]")
>
> I added the 'and *.CA' to get only a single label for each residue (for
> the alpha carbon atom).
>
> If you want a single line as output you could add the '.join()' function:
>
> print {selected and *.CA}.label("%[resno]:%[group]").join(", ")
>
> Please look at the 'label' documentation
> http://jena3d.fli-leibniz.de/doc/jmol_scripting/index.htm#label for more
> details.
>
> Regards,
> Rolf
>
> --
>
> Rolf Huehne
> Postdoc
>
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leadership blogs to news, videos, case studies, tutorials and more. Take a
look and join the conversation now. http://goparallel.sourceforge.net
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