[phenixbb] distance threshold for special positions?
afyfe at soe.ucsc.edu
Wed Jul 31 10:22:41 PDT 2013
I'd be grateful for pointers to documentation/source regarding
phenix.refine's criterion for flagging an atom's coordinates as
coinciding with a special position. For shelxl I noticed a distance
cutoff of 0.02 to the symmetry equivalent position seems adequate for
the data I'm working with. For phenix.refine the threshold is higher
but I haven't found documentation for the cutoff used.
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