[phenixbb] creating cif for Zn
Nathaniel Echols
NEchols at lbl.gov
Tue May 26 12:44:02 PDT 2009
On May 26, 2009, at 12:31 PM, Raja Dey wrote:
> Dear Friends,
> I have Zn atoms in my pdb file. So, I think I
> need to run elbow to create the cif otherwise refinement stops.
Like Pavel said, this isn't necessary - however, if you want to define
metal coordination geometry restraints, you can just use the commands
phenix.metal_coordination or phenix.ready_set (which combines many
functions for preparing PDB files).
-Nat
-------------------
Nathaniel Echols
Lawrence Berkeley Lab
510-486-5136
NEchols at lbl.gov
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