[phenixbb] Ligand addition in COOT for later refinement in Phenix.refine
osobolev at lbl.gov
Mon Aug 24 10:14:27 PDT 2015
The error says that chain id, residue id and atom name are the same for
several atoms. And there should be listing of such atoms after the error.
You may try to change chain id or residue number of your new ligand, if
this is the case.
On Sun, Aug 23, 2015 at 8:14 PM, Manoj saxena <mks131 at gmail.com> wrote:
> 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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> phenixbb at phenix-online.org
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