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

Clemens Vonrhein vonrhein at
Thu Apr 10 11:20:53 EST 1997

Since I got so many replies (aren't bulletin boards and newsgroup just

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

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 Vonrhein   email vonrhein at           *
*                    WWW  *
*                                                                         *
*         Institut f. Org. Chemie u. Biochemie                            *
*         Albertstr.21                                                    *
* D-79104 Freiburg i.Br. (Germany)                                        *
*  Tel.: 761/203-6061   FAX: 761/203-5987                                 *

More information about the X-plor mailing list