On 16/04/12 03:52, Dipankar Manna wrote:
Dear Crystallographers,
After one round of refinement (restrained refinement) with ligand, I
inport the .cif file through '->Import CIF Dictionary' into Coot. But
when I am going for '->Real Space Refine Zone' for the ligand, its
showing "Refinement set up failure. Failed to find restrained for:
LIG". Please suggest.
If you are not using refmac-like restraints and not using pre-release
Coot then this can happen :-( (my oversight). The work-around is to
stop, and on restarting, first read in your LIG dictionary then read in
the rest of the files.
Fixed in 0.7-pre (and will be in 0.7+ of course).
Cheers,
Paul.
