Hi Tim
use "wxu_scale" keyword for this. Making it less than the default value
will strengthen the ADP restraints and hence make ADP of adjacent atoms
more similar.
This is mentioned in the Manual although I admit is not too easy to
find. Look for "wxu_scale" in
http://www.phenix-online.org/documentation/refinement.htm
and you will find this among several hits.
Are you using TLS? How old is the version of PHENIX that you are using?
Cheers,
Pavel.
Tim Gruene wrote:
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Good day,
we are currently refining a 2.4 protein structure using phenix.refine.
I would like to know how to reduce the adp-variance. We have jumps
from 60 to 90 and back between adjacent residues and I do not like it.
I scanned the documentation I found on the web but did not find what I
was looking for.
Cheers, Tim
- --
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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