On 23/02/11 16:04, Kendall Nettles wrote:
When I real space refine my the ligand the hydrogens fly away. The ligand pdb
and cif files were generated with PRODRG. I'm using Coot 0.6.2-pre1. Is this a
coot problem, or with the pdb format from PRODRG?
Yes - and no.
Flying hydrogens occur when the PDB atom names do not match the
dictionary names.
I have often seen flying hydrogens. I have never seen flying hydrogens
when the PDB and cif files have been generated with PRODRG (I use the
CCP4 version, just to be clear).
So, at a guess I'd suppose that this is a formatting problem, not a Coot
problem.
Paul.
