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, [log in to unmask] 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: [log in to unmask]<mailto:[log in to unmask]>
>> > Verzonden: dinsdag 20 juni 2017 16:14
>> > Aan: [log in to unmask]<mailto:[log in to unmask]>
>> > 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
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