Dear Gerard, Thank you for the answer, absolutely not a problem! I am very grateful for all the great software from Global Phasing and I know that support is great. Enjoying the STARANISO server for example atm.
Best wishes, Radu > Dear Radu, > Nice to know that your problem is sorted and that you are pleased > with the results you are getting from BUSTER. > Clemens had drafted an answer along exactly the same lines and > circulated it around the team for comments, but we were momentarily distracted by something else and the CCP4BB experts beat us to it :-) > I should say that this is not a representative case: we usually > respond quickly and spare no pains to give users the help they need. > With best wishes, > Gerard. > -- > On Tue, Jun 20, 2017 at 05:02:24PM +0100, r...@mrc-lmb.cam.ac.uk wrote: >> Hi Robbie, Pietro, >> Thank you for the quick replies! I tried this before, but must have messed up >> things afterwards somehow... Anyway, tried again and now Buster works beautifully. Indeed the molecule was a couple of unit cells away from the origin, as the error message suggests... My fault. >> Best wishes, >> Radu >> > Hi Radu, >> > This may be caused by the coordinates being too many unit cells away from >> the >> > origin. In COOT you can easily ?symmetry move coordinates here? to a >> place >> closer to the origin. >> > Hope this helps, >> > Robbie >> > Sent from my Windows 10 phone >> > Van: r...@mrc-lmb.cam.ac.uk<mailto:r...@mrc-lmb.cam.ac.uk> >> > Verzonden: dinsdag 20 juni 2017 16:14 >> > Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> >> > Onderwerp: [ccp4bb] Error in assignment of symmetry operators 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
