[phenixbb] cif links for ligands bound to atoms in alternative conformation.
PAfonine at lbl.gov
Mon Jul 20 21:47:10 PDT 2009
I might be misunderstanding your question, but can't you define the bond
between these atoms using "custom bonds":
You can select such atom like this:
"chain X and resseq 123 and name YZ and altloc A"
You can experiment with atoms selections (to see which exactly atoms you
are selecting) using this very handy tool:
phenix.pdb_atom_selection model.pdb "your_atom_selection_string"
On 7/20/09 5:21 PM, Maia Cherney wrote:
> Hi all,
> I need to make a cif_link_params file for a covalent ligand bound to a
> sulfur in one of the alterantive conformations. What is the syntax for
> such an atom: SG_A or ASG or A_SG etc?
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