April 1st, 2011
Dear Andy,
We have observed the same problem before,
and just today we could finally find an explanation.
Apparently, a new (still undocumented) functionality
was quietly introduced into few widely used oscillation data
processing programs, enabling the recording of the scattering
from antimatter atoms traditionally ignored in crystallography
(see a related discussion on this BB earlier today!).
While obviously a welcomed improvement, the inclusion
of antimatter SFs in the calculations has resulted in
aberrant behaviour of some other programs. This apparently
includes SFCHECK which attempts to calculate the R-factor and
further statistics, but since the data for matter and antimatter
cancel out, all you get is a blank output.
I wonder if Alexei already has a new version of SFCHECK
that outputs the matter and antimatter SF statistics separately - ?
HTH,
Sergei
Dear all,
I have been trying to compare a model that I'm refining against the native SFs using
SFCHECK. SFCHECK finishes normally (no errors in log file, seemingly complete list of output .ps
files), but produces a postscript file with only the first page of output (and it is mostly blank).
There is the typical light-grey panels on a dark-grey background format that I'm used to for
SFCHECK postscript files, but there are no figures or data. Also, my mouse icon indicates it is
"hung" trying to load/read the file (i.e. it's a moving "busy" icon under
Linux).
I've tried other postscript viewers without luck. I can successfully run SFCHECK
on a completely different model/MTZ pair without problem though. So does anyone know of
circumstances that would lead to a "hung" postscript file from SFCHECK?
Thanks for your help,
-Andy
