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