[buster-discuss] Error in assignment of symmetry operators
A. Radu Aricescu
radu at strubi.ox.ac.uk
Tue Jun 20 14:44:42 CEST 2017
I am trying to refine a model in Buster, but hit the following problem:
ERROR : [run_buster-0046] unable to create initial SCREEN
output with gelly - see
Looking in the gelly_screen.log, the problem reported is:
Getting symmetry operators from TNT.
gelly will classify symmetry using pdb-like convention:
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.... Would be very grateful for any advice!
PS: space group is C2
A. Radu Aricescu, PhD
University of Oxford
Wellcome Trust Centre for Human Genetics
Division of Structural Biology
Roosevelt Drive, Oxford OX3 7BN
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