Hi, Rolf, Robert,
Many thanks for your answer, I will try your solutions and let you know if
it fixes my problem.
Regards,
Marc
Le Wed Dec 03 2014 at 14:45:56, Rolf Huehne <rhue...@fli-leibniz.de> a
écrit :
> 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
> Postdoc
>
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