On 11/12/2018 15:32, Andrea Thorn wrote:
Hi!
I cannot get Coot to open some EM PDBx/mmCIF files, for example 5lza, 5lzd,
5lze or 5lzs.
It says in the terminal output: "No Spacegroup found in this PDB file
There was a coordinates read error". However, the space group is listed in the
cif file.
Can someone point out if the files for these entries are broken somehow, or if
there is a bug in Coot?
Hi Andrea,
This is fundamentally a problem in mmdb2, not Coot - all CCP4 programs will fail to correctly parse these
files (of course, for some operations this will not matter), specifically
_atom_site.pdbx_PDB_ins_code
is mishandled on reading and writing.
It needs to be fixed by CCP4 core team - who, I understand, are the current
developers of mmdb2.
Regards,
Paul.
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