What you want is a test for how well each model agrees with its own map. It
is fair to argue that the model that is more self-consistent (agrees better
with its own map) is the better model. But you won't learn that by
comparing model A to map B.
However, conversely, if your modified model fits the original map better than
the model that was used to calculate the map itself, you've done a good bit of
model building. If you want to do this calculation (with all the warnings and
caveats), you can also use MAPMAN -
http://xray.bmc.uu.se/usf/mapman_man.html#S41 . The method you propose is
essentially the same as this one: http://www.ncbi.nlm.nih.gov/pubmed/18598022
but for a fragment of your macromolecule instead of for a ligand (if you don't
have access to the journal, you can request a reprint here:
http://xray.bmc.uu.se/cgi-bin/gerard/reprint_mailer.pl?pref=87 )
--Gerard
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Gerard J. Kleywegt
http://xray.bmc.uu.se/gerard mailto:ger...@xray.bmc.uu.se
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The opinions in this message are fictional. Any similarity
to actual opinions, living or dead, is purely coincidental.
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Little known gastromathematical curiosity: let "z" be the
radius and "a" the thickness of a pizza. Then the volume
of that pizza is equal to pi*z*z*a !
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