Dear All,
Apologies for posting a Buster-related question to this list, the
buster-discuss one seems less active :-) I am trying to run a refinement job,
and hit the following problem:
ERROR : [run_buster-0046] unable to create initial SCREEN
output with gelly - see
refine/01-BUSTER/Cycle-1/gelly_screen.log)
Looking in the gelly_screen.log, the problem reported is:
Getting symmetry operators from TNT.
gelly will classify symmetry using pdb-like convention:
SYMOP SYMMETRY
NNNMMM OPERATOR
1555 X,Y,Z
2555 -X,Y,-Z
3555 1/2+X,1/2+Y,Z
4555 1/2-X,1/2+Y,-Z
where NNN -> operator number and MMM -> translation vector
*** ERROR in assignment of symmetry operators NNNMMM (M<1 or M>9).
*** ERROR maybe the molecules are far away from the origin.
I tried everything I could think of to fix this, no luck so far.... I'm
probably making a very silly mistake... But would be very grateful for any
advice!
Best wishes,
Radu
PS: space group is C2
--
Radu Aricescu
MRC Laboratory of Molecular Biology
Francis Crick Avenue
Cambridge Biomedical Campus
Cambridge CB2 0QH, U.K.
tel: +44-(0)1223-267049
fax: +44-(0)1223-268305
www: http://www2.mrc-lmb.cam.ac.uk/group-leaders/a-to-g/radu-aricescu
