Thank you for pointing this out. The file came from PDBe - and I have a
few dozens where this happens. So just fixing the CIF file in my
download folder does not help the underlying problem. I basically want
to find out if I did something wrong - or if I need to ask the PDB
people to fix the PDBx/mmCIF files - or if it's Coot doing something it
is not supposed to (bug report)...
Best wishes
Andrea.
On 11/12/2018 17:35, Huw Jenkins wrote:
On 11 Dec 2018, at 15:32, Andrea Thorn <andrea.th...@web.de> wrote:
Can someone point out if the files for these entries are broken somehow, or if
there is a bug in Coot?
5lza for me:
There was an error reading 5lza.cif.
ERROR 42 READ: Duplicate sequence number and insertion code.
CIF ITEM: loop _atom_site.B_iso_or_equiv_esd row 52227 data [NULL]
There was a coordinates read error
looks like duplicate atom_site.auth_seq_id
Huw
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--
Dr. Andrea Thorn
Rudolf Virchow Center for Experimental Biomedicine
University of Wuerzburg
Josef-Schneider-Str. 2
97080 Wuerzburg
Germany
andrea.th...@web.de
http://shelx.uni-ac.gwdg.de/~athorn
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