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
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
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:
