Santarsiero, Bernard D. wrote:
On Fri, August 17, 2007 10:56 am, Eleanor Dodson wrote:
There are obvious ones like - incomplete structure etc, but have you
tried TLS? Sometimes this can dramaticaly improve the R factors.
When people run TLS, are they trying to improve the R-factors, or actually
generate a reasonable model for the structure? I really think people
should be extremely cautious in just turning on the TLS option with dozens
of arbitrary groups during refinement without thinking about the resultant
model.
Bernie Santarsiero
Yes, that is the reason why you should submit your files e.g. to
http://skuld.bmsc.washington.edu/~tlsmd/
Juergen
--
Jürgen Bosch
University of Washington
Dept. of Biochemistry, K-426
1705 NE Pacific Street
Seattle, WA 98195
Box 357742
Phone: +1-206-616-4510
FAX: +1-206-685-7002
