[cctbxbb] How to load a structure from a .cif file?

Jan Marten Simons marten at xtal.rwth-aachen.de
Mon Dec 13 05:23:09 PST 2010

Am Samstag 11 Dezember 2010 14:16:37 schrieb Richard Gildea:
> Hi Jan,
> This should be fairly straightforward:
> from cctbx import xray
> xs = xray.structure.from_cif(file_path="my.cif")

This looks very good. Sadly I could not yet test it here, as I'm on gentoo 
linux and the most recent version of cctbx there is 2010.03.29.2334 [1]. I've 
tried to adapt the ebuild to the most recent release, but as gentoo unbundles 
boost (by policy and for good reasons [2]), I'm stuck with outdated patches 
[3] to the SConsscripts of cctbx.

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