Hello all: I am trying to generate a cif file for a new ligand using PRODRG server. The server generates cif file without any problem. The problem comes when I try to load the cif file in Coot and try to model the ligand into the electron density. It gives an error message like this.. ------------------------------------------------------ Failed to match (to the dictionary) the following model atom names: XXX "Cl38" "Cl39"
That would cause exploding atoms, so the refinement didn't start ------------------------------------------- This problem never occurred to me before whenever I generate new cif files. The ligand has two chlorine atoms. I tried to give different three letter codes for the ligand assuming the three letter code I gave may already be in the dictionary and that is why it is giving me the error message. I get the same message irrespective of changing the three letter code. I also tried generating a cif file by running it through Refmac5 (the job fails and gives me a cif file which I used in Coot) and again I ended up with the same message. Does anyone know what's happening? Thanks and have a nice day, Madhavi
