Dear CCP4 community, I am currently trying to determine the structure of a protein-polyoxometalate complex. I am using a polyoxometalate molecule that is a derivative of the one deposited in the CCDC (ICSD: 173439). I am facing difficulties in generating a restraint file for this metal-oxo molecule that can be recognized by Phenix, both for ReadySet and refinement jobs. I have attempted to use ACEdrg and ELBOW, but all my trials have been unsuccessful. A common error in refinement states that Phenix is unable to determine the energy type for Ru or W atoms present in my ligand molecule. If anyone has any suggestions or alternative approaches, I would greatly appreciate your input! Thank you all for your time and help. Best regards, Christian
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