NaN will be returned if you have a different number of atoms in the two
sets.
2011/8/4 Angel Herráez <[email protected]>
> **
> Thanks, Bob
>
> > That the idea?
>
> I think that's what I need.
> I'm trying this:
>
> m = compare( {2.1 & alpha} ,{1.1 & alpha} )
>
> However, it seems that although the compare command works fine in all
> cases (including the whole 888-residue protein), the compare() function has
> a limit. I get NaN for m unless I reduce the number of atoms in the target
> set.
>
> Is that possible?
>
>
>
>
>
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>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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