This is possible but a bit of a pain.. - you need to make an mtz file,
convert it to the "multi record " format, go through a scala step to
reformat that then you get back to the mtz with
h k l Fmean Dano F+ F- Imean I+ I- all on one line..
I have such a script but it is not part of the Reflection data utilities
- convert to MTZ
It probably should be part of the Convert to MTz GUI
Eleanor
claudine mayer wrote:
Hello all and Hello Kevin,
I just have by now a probleme concerning this point and especially
concerning a CNS reflection file with PHASES. The main point is that
CNS consider Bijvooet as separate reflections (and far away from each
other in the file) whereas CCP4 uses 1 line for Bijvooet pairs.
Without considering all the other problems in terms of format, but
this I guess is only a question of a good script...
Has anybody already think about this problem ?
Cheers,
Claudine
Kevin Cowtan wrote:
On a more general note, having looked at mtz2various it looks a lot
better than last time I used it, and the problem of keeping I's is a
separate issue.
But we still get fairly regular format conversion questions on both
this and the coot list. From memory, the most common questions
concern conversion from CNS format into MTZ. (We've got code to make
coot read CNS maps, which may solve this eventually, but it's not in
coot yet).
Is that correct? Are there any other format conversions which still
cause problems?
Kevin
