Dear all:
In a 1.8A protein crystal structure,I find clear extra positive
electron density suggesting 2 possible different orientations of the same
ligand at a single active site.I identify those two orientations by mannually
fitting 2 orientations and then refining them separately.
Got a question though.Does anyone know which program could calculate
the percentage of occupancy of two different orientations based on the mixture
of electron density at the active site in the omit map. Or does any program
could refine the the same ligand with 2 different orientations into a mixed
electron density?
Thanks a lot.
Sincerely,
Hongnan Cao
Biochemistry Department
UC Riverside
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