james09 pruza wrote:
Dear All,
I am using Refmac5 and have metal in the structure. The refmac program is
not reading this from the library file and hence not refining this metal
ion.
What is the way to solve this problem.
Thanks in advance.
J...
Do you have the correct format for the ATOM record?
The metal ID needs to be one space to the left relative to a C,N,etc
ATOM 832 OXT ALA D 30 -3.822 22.597 -13.538 1.00 43.22
HETATM 834 ZN ZN 1 -0.002 -0.004 7.891 0.33 10.40
HETATM 835 ZN ZN 2 0.000 0.000 -8.039 0.33 11.00
