3 Feb
2012
3 Feb
'12
8:47 p.m.
On Thu, Feb 2, 2012 at 3:22 PM, Subhani Bandara
I also want to know whether its possible to assign the charge of the metal in the chelator complex, or is it ignored in refinement.
This can be done in phenix.pdbtools starting with the next nightly build: phenix.pdbtools model.pdb charge_selection="element Mn" charge=2 (also in the GUI, of course) -Nat