On 1/31/2017 11:51 AM, Paul Emsley wrote: > 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.
I think this is a poor solution. Microheterogeneity is not a duplicate residue number. Not any more so than the alternative conformation that is also indicated with "alt loc" letters. Both come up quite often in the PDB, and microheterogeneity probably should be put in models more often than it currently is. May modelers simply don't realize it is a possibility. Your users rarely going to know about the need to put this option into their startup file. Dale
