Dear All

I'm refining a protein structure with a resolution of 1.25 A, using Phenix GUI version 1.9. I am refining the B-factors for the protein atoms anisotropic and those for the water molecules isotropic. How can I restrain the anisotropic B-factors so that bonded atoms have similar ellipsoids (like the SIMU and DELU commands in Shelx making the atoms moving similarly in direction and amount)?

Thanks

Elke

Elke De Zitter

PhD student, KU Leuven

Biochemistry, Molecular and Structural Biology

Celestijnenlaan 200f - bus 2404, 3001 Leuven

Room 00.84, +32 16 3 26530

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