Hi,

I had a trouble of refining "ATP" in Phenix. I appreciate any help.

ATP with tri-phosphate is in the 5' end of RNA chain. It is added to the RNA chain in coot as a monomer "ATP", and it could be connected to the downstream base after I changed the "_chem_comp.group" option to "RNA" in the cif file.

But when I refine the model in Phenix, Phenix treated the "ATP' as a monomer and didn't connect it to the downstream base.

I tried two ways to solve it

1. Add the the modified  (chang the "_chem_comp.group" option to "RNA") cif file in phenix_refine, but Phenix doesn't recognize it.
2. In REEL, I found phenix has its own cif file for ATP, but the its header couldn't be edited.

Any suggestions?
Thanks.


Yu