Dear Paul,
That implies that phenix refine (like SHELXL, but unlike REFMAC) can
refine against data for which I+ and I- (or F+ and F-) have not been
merged. An attempt to refine f" against Friedel merged data would be
very poorly determined. Am I right in guessing that phenix refine can
only d
Dear George,
you are correct - this kind of refinement only makes sense if F+ and
F- are kept unmerged. The refinement of f'/f'' is performed with the FFT
(from what I recall - Ralf can confirm or deny). At the very least,
structure factors from non-anomalous atoms are calculated using the F
Dear programmers -
Phil Evans writes in acta D57 1355 (2001) on p 1358 section 5.2:
"the convention used in AMoRe (Navaza, 1994)
and other CCP4 programs (Collaborative Computational
Project, Number 4, 1994) is to rotate by gamma around z, then by beta
around the new y, then by alpha around
Ralf W. Grosse-Kunstleve wrote:
I.e. the first 9 serial numbers are represented as usual. The
following atoms use a base-36 system (10 digits + 26 letters) with
upper-case letters. 43670016 (26*36**4) additional atoms can be
numbered this way. If there are more than 43770015 (9+43670016)
Dear All:
plotting a selfrotation with polarrfn.
a) Seems in the GUI interface, selecting a range for a fine
kappa seach (60,80,1) does not change anything?
Looking at the command file, it does not contain any
LIMITS statement. But the def file has them.
b) I'd like to show the azimuth angle, bu
