Thanks - sorry I should have searched the archives first. As a suggestion, could you alter the warning text to include the fix decription (i.e. "include this in your .coot.py)? This way users would know what to do right away.
On Tue, Jan 31, 2017 at 2:51 PM, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> 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. >
