Hi,
I have a peptide structure at 0.92A and for the latest stage of
refinement I would like to real space refine a Met residue including
hydrogens. The H are flying away from their original position and density.
I am using shelxl for refinement (.res and .ins format not pdb).
I read from the coot mailing list archive that coot 0.4.1 was not able
to do so ("coot currently does not handle PDB V3 hydrogens. You need to
tell reduce to write out old style hydrogens. This should take of this
problem.").
Is it still the case with the latest version of coot?
What about using shelx coordinate file format?
Regards
Arnaud
