[buster-discuss] manual adjustment of X ray weight with autobuster
Martin.Hallberg at ki.se
Thu Oct 28 16:11:25 CEST 2010
Try changing the target value from 0.010 to slightly higher if you think it is too tight. You do this with the -r setting in autoBUSTER.
On Oct 28, 2010, at 3:33 PM, Alejandro Buschiazzo wrote:
> when doing it automatically (default), autobuster seems to adjust
> stereochemistry/X ray weights a bit too tight towards keeping geometric
> values near ideal.
> I want to change these parameters manually, towards the end of
> refinement (1.9 angs res data, P43212) : in the command line, I am
> currently including these two non-default settings for parameters
> ...I've been playing around with the starting weight (looking at the
> latest automatically refined values, these read 1.6, resulting e.g. in
> rmsd's < 0.01 angs for bond lengths and <1deg for angles). So I started
> raising that weight to 4 (default), then to 10, etc.
> I don't see any change in the actual refinement behavior...
> Any help to understand what I'm doing wrong : greatly appreciated!
> best regards,
> Alejandro Buschiazzo, PhD
> Research Scientist
> Laboratory of Protein Crystallography
> Pasteur Institute of Montevideo
> Mataojo 2020
> Montevideo 11400
> Phone: +5982 5220910 int. 120
> Fax: +5982 5224185
> buster-discuss mailing list
> buster-discuss at globalphasing.com
B. Martin Hallberg, PhD
Junior group leader - RNA biology
Department of Cell and Molecular Biology
von Eulersv. 3
SE-171 77 Stockholm
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