[phenixbb] phenix.refine writing maps error

Peter Zwart PHZwart at lbl.gov
Fri Aug 22 10:29:30 PDT 2008


oh my ....

can you contact me personally with your data / model?
That wil make it seasy to debug.

P

2008/8/22 Francis E Reyes <Francis.Reyes at colorado.edu>:
> Writing refined structure to PDB file:
>   /Users/francisreyes/Desktop/No_Sync/RBD_MOSFLM_P4_processing/
> cns_P41_solution_18/RBD_P4PROCESS_18.1_refine_001.pdb
> n_use            =  1586
> n_use_u_iso      =  1586
> n_use_u_aniso    =  0
> n_grad_site      =  0
> n_grad_u_iso     =  0
> n_grad_u_aniso   =  0
> n_grad_occupancy =  0
> n_grad_fp        =  0
> n_grad_fdp       =  0
> n_anisotropic_flag =  0
> total number of scatterers =  1586
>
> Traceback (most recent call last):
>   File "/usr/local/phenix-1.3-rc2/phenix/phenix/command_line/
> refine.py", line 5, in <module>
>     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
>   File "/usr/local/phenix-1.3-rc2/phenix/phenix/refinement/
> command_line.py", line 99, in run
>     map_manger.write_files()
>   File "/usr/local/phenix-1.3-rc2/phenix/phenix/refinement/
> driver.py", line 1170, in write_files
>     coeffs =
> self.refine_object.fmodel.map_coefficients(map_type=map_type)
>   File "/usr/local/phenix-1.3-rc2/mmtbx/mmtbx/twinning/
> twin_f_model.py", line 2205, in map_coefficients
>     result = result.customized_copy( data = result.data()*aniso_scale )
> RuntimeError: scitbx array_family range error
>
>
> Using version
>
> -------------------------------------------------------------------------------
>   PHENIX: Python-based Hierarchical ENvironment for Integrated
> Xtallography
>   Version: 1.3
>   Release tag: rc2
>   cctbx tag: 2008_05_25_1144
>   Platform: mac-ppc-osx osx-10.5.3
>   User: francisreyes
> -------------------------------------------------------------------------------
>
>
> Thanks
>
>
> FR
>
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
>
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>



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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
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Cell: 510 289 9246
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