21 Jul
2009
21 Jul
'09
4:47 a.m.
Hi Maia, I might be misunderstanding your question, but can't you define the bond between these atoms using "custom bonds": http://phenix-online.org/documentation/refinement.htm#anch80 ? 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" Pavel. 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?
Maia