Re: [phenixbb] Using LigandFit to identify unknown density

Hi Katya, Try phenix.ligand_identification mtz_in=mydata.mtz model=mypdb.pdb you might need to add input_labels=myFP (your FP label in the mtz file if it is not F or FP already) also, if you know the function of your protein and would like to search ligands bound to that type of proteins, add function = myfunction (e.g. function=kinase) Good luck, Li-Wei Katya Heldwein wrote:

Hi,

I'd like to run LigandFit to identify a small molecule accounting for an unknown density. How do I do that, preferably, in a command-line mode?

Katya