[phenixbb] cif_as_mtz assertion error

Nathaniel Echols nechols at lbl.gov
Thu Jun 14 09:48:58 PDT 2012


On Thu, Jun 14, 2012 at 9:13 AM, Eric Williams <ericwilliams at pobox.com> wrote:
> Might this also be a bug? When processing PDB entry 4a0e, I get
> "CifParserError: Wrong number of data items for loop containing
> _symmetry_equiv.id".

Richard's reply got swallowed (wrong email address!), but here is the answer:

---------- Forwarded message ----------
From: Richard Gildea <rgildea at gmail.com>

This is an error in the structure factor CIF itself, the problem is
the CIF contains an "empty" loop, which is invalid syntax. We have
notified the PDB regarding numerous files with similar errors. It
doesn't look like the corrected files have been made available yet.

If you remove the following lines from the CIF, then you should not
see the problem any further:

loop_
_symmetry_equiv.id
_symmetry_equiv.pos_as_xyz

Cheers,

Richard


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