great. Rolf, am I right that

select 40-43

should select ALL ranges of that sort within a chain -- because some 
older PDB files have the waters in with the protein all as one chain, so 
there is a duplicate set of numbers within a chain?

I was thinking yesterday that maybe we should select only the first set, 
because generally one expects protein when you select a range of 
residues, and that the selection of waters was actually a bug.

But then I realized if we did that it would be impossible to select a 
range of water molecules, so I changed it to iterate over the chain, 
finding all ranges, not just the first.

What do you think?

Bob


Rolf Huehne wrote:

>
>I agree.
>
>  
>
>I agree.
>
>  
>
>I agree.
>
>Regards,
>Rolf
>
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-- 
Robert M. Hanson
Professor 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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