[phenixbb] cif links for ligands bound to atoms in alternative conformation.
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Mon Jul 20 22:19:23 PDT 2009
> 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?
Sorry, the cif_link mechanism doesn't work for your situation.
It is something I hadn't anticipated when writing the link code.
I'll put this on my todo list.
Could you try custom bonds in this case? -- There are also custom
angles if you want those as well.
If you could send me the residues from your .pdb file you want to link,
I'll have an easier start changing the cif link code to handle your
More information about the phenixbb