[cctbxbb] cls parameter

Graeme.Winter@Diamond.ac.uk Graeme.Winter at diamond.ac.uk
Thu Aug 22 07:53:25 PDT 2019


Folks,

For reading shelxl .res files I need to define a cls parameter - it is not _used_ for anything though - so 0 works fine e.g.

from iotbx import shelx
import sys

s = shelx.cctbx_xray_structure_from(0, filename=sys.argv[1])

will work fine. I based this on the documentation at

https://cci.lbl.gov/cctbx_docs/iotbx/iotbx.shelx.html

What have I missed?

Thanks Graeme



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