Whatever the rationale was, there is a structure in the PDB that has alternate conformer of a residue listed with different residue type - A is arginine and B is glutamine. Coot fails to load the model complaining in the command window
WARNING:: Error reading small-molecule cif "/home/epo/coot/foo.pdb" > There was an error reading /home/epo/coot/foo.pdb. > ERROR 42 READ: Duplicate sequence number and insertion code. > LINE #1571 > ATOM 1666 N BGLN B 93 24.448 28.340 -33.325 0.50 > 9.34 N > > No Spacegroup found for this PDB file > There was a coordinates read error > One way to deal with it is to take the second conformer and manually add a sequence modifier (make it 93A), and that pdb file loads just fine. This is observed with Coot-0.8.8-pre, rev.6506. This is only a minor nuisance, of course, so I completely understand if no fix is made to load such strange models. Cheers, Ed. --- Coot verendus est
