New (better?) bulk solvent correction (follow-up)

Clemens Vonrhein vonrhein at bio5.chemie.uni-freiburg.de
Thu Apr 10 11:20:53 EST 1997


Since I got so many replies (aren't bulletin boards and newsgroup just
great?!):

I put some more explanation and the patch/script onto my WWW page:

http://bio5.chemie.uni-freiburg.de/~vonrhein/prg/bulk_solvent.html

Hope you can get there.

Perhaps one more comment:
=========================
- test were made with an incomplete model (~80% backbone, ~20%
sequence) at low resolution (20.0 - 3.15A). Perhaps even more
important is the fact, that the data set shows a symmetry breakdown
(giving rise to two kinds of reflections with rather large differences
in the I/sig(I) distribution). So it's neither an ideal nor an typical
data set.

- some people asked me how the map improved (which is the most
important point anyway): wwweeeellll .... it's *perhaps* a wee bit
less lousy than with other bulk solvent correction. But we're speaking
about a model with an R-factor of ~35-40% and 3.2A data. So I didn't
expect too much.

I just thought of this bulk solvent correction idea this morning on my
bike, so ... :-)

Anyway, thanks for all the feed-back.

Clemens

-- 

***************************************************************************
* Clemens Vonrhein   email vonrhein at bio5.chemie.uni-freiburg.de           *
*                    WWW   http://bio5.chemie.uni-freiburg.de/~vonrhein/  *
*                                                                         *
*         Institut f. Org. Chemie u. Biochemie                            *
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