Yes - asterisks are now not used.. Eleanor
On 13 September 2014 14:54, Shane Caldwell <[email protected]> wrote: > Hi Helena, > > I'm not sure if this is the same issue, but I've run into a problem where > there is a mismatch between atom names and restraints files where some > programs use 'primes' and others use asterisks (I assume this is part of > ongoing standardization?). The ribose ring goofs it up. Keeping the > restraints and coordinates from the same program (I have been using GRADE) > through all refinement has kept this from being an issue anymore for me. > You just need to load your own .cif file when you open the coordinates as > well. > > Cheers, > Shane Caldwell > McGill University > > > On Sep 12, 2014 8:36 AM, "Helena Taberman" <[email protected]> > wrote: > >> > >> Hi, > >> > >> I am using the coot 0.8-pre (revision 5201) version and having problems > with my ligand cif files. My ligand is just a common NADP and the atom > names at the PDB file match the atom names at the cif file, but for some > reason I am not able to do any real space refinement ect. at coot for it > since the coot fails to match (to the dictionary) the following model atom > names and it would cause exploding atoms. I have tried to change my NADP to > different molecules downloaded form PDB or just searching with the three > letter code from the dictionary of coot, but having trouble with any > molecule used. There’s also this persistent clash in the middle of the NADP > molecule on both sides of the phosphorous next to the ribose ring. > >> > >> I’m getting despered. Would you have any ideas? > >> > >> Best regards, > >> Helena >
