Hi Dipankar
you need to pit a unique identifier for each of your ligands,
eg
phenix.elbow --smiles=cyclopiazonic_acid.smi --id=CZA --output=cza --opt
best Preben
On 4/16/12 4:52 AM, 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.
Thanks and Regards,
Dipankar
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