<JmolScript>
b = {occupancy<1.0}.label("%3n\t%4R\t%3E\t%3c\t%4e\t%a\t%3A\t%3.2Q\t%3.2t")
print {*}.atomIndex.all[1][b.length].add(1).join(b).join("\t",true)
</JmolScript>
:)
Bob
On Tue, Aug 25, 2015 at 6:31 PM, Eric Martz <[email protected]>
wrote:
> This generates a nice tab-delimited (spreadsheet ready) list of atom
> properties:
>
> x =
> jmolEvaluate('{occupancy<1.0}.label("%3n\t%4R\t%3E\t%3c\t%4e\t%a\t%3A\t%3.2Q\t%3.2t")');
>
> Like this:
>
> Group SeqNo Ins Chain Element Atom AltLoc Occ Temp
> GLU 59 A N N A 0.70 0.10
> GLU 59 A N N B 0.30 0.10
> GLU 59 A C CA A 0.70 0.09
> GLU 59 A C CA B 0.30 0.09
>
>
> What would be the simplest way, within Jmol, to prepend a line number to
> each element of the array?
>
> I am retrieving it in Javascript so I could add the numbers there. Just
> wondering ...
>
> Thanks, Eric
>
>
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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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