Garib,
Yes! That clears it up. The documentation says the default is 1.5 and I
found 1.5 in the source code, so I automatically assumed that was true.
-Billy
On Wed, 14 Feb 2007 18:33:59 +, Garib Murshudov <[EMAIL PROTECTED]>
wrote:
>There re two places where FSHANN is set. One when keywo
There re two places where FSHANN is set. One when keyword is read and
one default initial value. The second value is the default.
The first set is when you make mistake with the keyword and the
second one is the default. Is this what you have?
/Users/garib/ccp4_ibm/ccp4_5.0.2/ccp4-5.0.2/src/
Thanks both for your quick replies!
Bernie,
I didn't use the WEIGHT keyword because I'm not doing any refinement. I
only want to calculate the R values for a structure without any
minimization. And it seems that setting the SHANnon_factor keyword to
the default value gives different R value
You didn't say anything about the "weighting term" between the F's and
geometrical parameters. That will substantially affect the R's, and the
default value of 0.3 in REFMAC isn't appropriate for all structures. In
CNS, it's adjusted to a more reasonable value during refinement.
Bernie Santarsiero
Dear all,
I have been using REFMAC5 to calculate the R values of several structures from
the PDB and was confused by the behavior of the SHANnon_factor keyword. When I
leave it at the default (set at 1.5 in the source code), I get one set of R
values. But when I manually set the value to 1.5 (S
