Advanced Crystallography: Refinement of Disordered ... - Bruker

The connectivity listThe connectivity list is used for the automatic generation of hydrogen atomsand some restraints. Non-hydrogen atoms i and j are considered to be‘bonded’ if:d ij < r i + r j + 0.5 ÅThe CONN instruction may be used to modify r and to set a maximumconnectivity for an atom (e.g. 0 for water). A shell of symmetry equivalents isgenerated automatically around the unique atoms. Bonds may be added withBIND or deleted with FREE.PART N controls the generation of bonds for disordered groups. Most atomshave N = 0; multiple conformations have N = 1, 2 etc. Bonds are generatedonly when the N are equal or one N is zero. If N is negative, bonds are notmade to symmetry equivalents.November 13, 2012 Disorder Webinar17