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qFit automatically builds multi-conformer models into X-ray electron density maps.


qFit is a method for automatically disentangling and modeling alternative conformations and their associated occupancies, which are represented by the variable q (short for “occupancy”) in standard structure factor equations. The qFit algorithm examines a vast number of alternative interpretations of the X-ray electron density map simultaneously. It selects a set of one to four conformations for each residue that, collectively, optimally explain the electron density in real space.

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