Well then, REFMAC I guess needs to be cleverer and check whether a HETATM "residue" is an Lpeptide or not.
Eleanor On 7 November 2017 at 13:33, Marcin Wojdyr <[email protected]> wrote: > On 7 November 2017 at 12:28, Eleanor Dodson > <[email protected]> wrote: > > > > Something (Refmac? Coot?? mystery?) was labelling all atoms in MSE > residues > > as HETATM and that was a BAD THING.. > > I don't dispute this, but that's what the pdb spec from the PDB > requires (HETATM for all non-standard residues). > Example: https://files.rcsb.org/view/5ABS.pdb > > Marcin >
