Hi
All,
I’m
refining a structure (dev-1726) that contains 24 protein
subunits which are assigned to chains A-X in the PDB file.
Chains Y and Z are assigned to a couple of ligands and the
ordered solvent molecules are chain w (lower case). I
decided to give the “Update waters” option a try during
refinement but it seems that the chain ID of the ordered
solvent is changed to chain S by default. Since I already
have a protein subunit assigned to chain S, the following
error is obtained when I try to open the model in Coot
(ERROR 39 READ: Duplicate sequence number and insertion
code.). To enable visualization of the model in Coot, I can
of course manually change the chain ID for the ordered
solvent in the output PDB file using a text editor.
However, is there a way to override the ordered solvent
default chain ID in Phenix to prevent duplication?
Thanks,
Scott
__________________________________
Scott
Lovell Ph.D., Director
Protein
Structure Laboratory
University
of Kansas
Del
Shankel Structural Biology Center