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
Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
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