Les Tari wrote:
I realize that I left out a key detail, and had a typo on my last post. I am running Coot 0.5
on OSX (intel). The error message I see when I try to refine a monomer I generate with the
CCP4 monomer library sketcher that there are NO restraints found for the ligand (despite
the fact that I read in the mon_lib.cif file before reading in the coordinates for the
monomer(s) in question).
Les,
When one successfully reads a dictionary cif file (typically
monomer-XXX.cif, if it has come from LIBCHECK via Coot) Coot will tell
you that it has read n bonds from the dictionary - if it doesn't do that
then I worry. Look for "dirty cif?" message in the console.
Are you sure that the three-letter-codes of the PDB coordintes match
that in the cif dictionary?
How, more precisely, did you make you dictionary? I presume this is a
ligand you designed yourself (and not something in the refmac dictionary?).
Paul.
