[phenixbb] Using LigandFit to identify unknown density

Li-Wei Hung lwhung at lbl.gov
Thu Sep 10 09:25:37 PDT 2009

Hi Katya,

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 
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,


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

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