[cctbxbb] cls parameter

richard.gildea at diamond.ac.uk richard.gildea at diamond.ac.uk
Thu Aug 22 07:59:02 PDT 2019

That function isn't supposed be called directly, but via cctbx.xray.structure.from_shelx():


Dr Richard Gildea
Data Analysis Scientist
Tel: +441235 77 8078

Diamond Light Source Ltd.
Diamond House
Harwell Science & Innovation Campus
OX11 0DE
From: cctbxbb-bounces at phenix-online.org <cctbxbb-bounces at phenix-online.org> on behalf of Graeme.Winter at Diamond.ac.uk <Graeme.Winter at diamond.ac.uk>
Sent: 22 August 2019 15:53:25
To: cctbx mailing list
Subject: [cctbxbb] cls parameter


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


What have I missed?

Thanks Graeme

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