Dear CCP4BB members, I want to keep the chain ID of water molecules the same as their interacting protein molecule. For example, I have two protein molecules in the structure —— named chain A and chain B; then I want all the water molecules interacting with protein A (or B) have the same chain name A (or B).
Any tool in CCP4 can do this? I remembered that when we deposited our coordinates to PDB, the server can do this automatically. Thank you. Kind regards, Wenhe
