I'm missing something. ".all" where? You mean for .label()? Labels are
strings; it wouldn't make sense to average them.
On Wed, Dec 3, 2014 at 7:45 AM, Rolf Huehne <[email protected]> wrote:
> On 12/03/2014 01:53 PM, Robert Hanson wrote:
> > It's actually easier than that:
> >
> > var tsv_data =
> >
> {selected}.label("%[resno]\t%[chain]\t%[model]\t%[property_seqresno]\t%[property_qsimil]")
> > write VAR tsv_data "atom_properties.txt";
> >
> > Using %[...] allows you also to format the lines any way you want -- in
> > fixed columns, left/right justified, etc.
> >
> '.all' at the end is not necessary and even not allowed (syntax error in
> version 14.3.10_2014.11.27) in this case to get an array instead of a
> single mean value like usual?
>
> For consistency I would suggest to allow the '.all' at the end here.
>
> In my case the data were not atom properties but data from a
> self-defined hash, not organized by atom. So one can use my code with a
> little adaptation for any data built within Jmol.
>
> Regards,
> Rolf
> --
>
> Rolf Huehne
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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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