Re: [phenixbb] modification of nonbonded geo restraints between symmetry mates

...of course it was silly : the 'shared' Zn atoms are on special positions, so I guess the best way to go is to refine their positions with 0.5 occupancy and that's it (the bond distance with the symmetric of course already being taken into account on the ASU's contents!)

phenix.refine takes the multiplicity of the special position into account. I.e. you probably want to keep the occupancy at 1.0, unless you think the Zn really isn't fully occupied. Is the Zn covalently bound? (That may need a little attention.) Ralf