Hi all,
I've downloaded a structure factor file from the PDB that presents
itself as being triclinic. It contains F, sig(F), and Rfree only.
The P1-ness of this structure is dubious, however.
Pointless is 99.6% sure it's orthorhombic and puts out an mtz file
in P212121 containing
I SIGI BATCH M/ISYM
where the batch numbers are all 1 and ISYM runs from 1 to 8.
So far so good, but now I'm stuck. I can't persuade Scala
or Aimless to merge the symmetry mates and report a merging
R factor. Is there a trick to this? Some other program sequence?
Ethan
--
Ethan A Merritt
Biomolecular Structure Center, K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742
