Hi all, How can I refine multiple ligands( metall ions and other organic molecules) and in the same structure? I guess Refmac automatically generates restraints for common metal ions, but how could I put multiple pdbs and cif files of molecules in my Refmac cycles other than just metal ions.
In my case even Arp ligand can only find one ligand in one of the sites (1.15 Angs data). Is there a way to use the partially ligand fitted structure to find the second ligand. Or is there a similar thing as superpose that would give me the rough coordinates of the ligands in the second site. Thanks in advance. Ivan
