[phenixbb] error loading SHELXL HKLF4 reflection file
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Mon Jun 22 05:05:23 PDT 2009
> OSError: [Errno 2] No such file or directory: '/path/xxx.hkl=hklf4'
That's a bug. Sorry. But I think you can easily work around it by
using phenix.reflection_file_converter to make an mtz file.
For example:
phenix.reflection_file_converter "/path/xxx.hkl"=hklf4 --symmetry=xxx.ins --mtz .
This will extract the symmetry information from xxx.ins. You can specify
other files, e.g. --symmetry=xxx.mtz, xxx.inp etc. I hope one of the files
you have will work. In the worst case, use --unit-cell and --space-group
to define the symmetry information.
Ralf
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