Re: [COOT] pdb file problem with duplicate amino acid

[Paul Emsley]

On 31/01/17 17:54, Edwin Pozharski wrote:

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

https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1503&L=COOT&F=&S=&P=25056

Paul.