[phenixbb] Ligand addition in COOT for later refinement in Phenix.refine

Manoj saxena mks131 at gmail.com
Sun Aug 23 20:14:24 PDT 2015

 I am trying to place a ligand (CIT) in
a protein model that already have some citrate ligands placed. I am doing
this using Coot's option "get monomer", and after the fitting of ligand in
the density I tried to refine the model using the ligand and the protein
pdb as input models. Refinement did not start and I got an error message in
Phenix- "Number of groups of duplicate atom labels:....."
Could someone please explain how could I get past this error message and
what is the correct way to add a ligand to a model that already has some of
the ligands
of the same type.

Many thanks in advance


Manoj Saxena
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