Hi Alastair, for phenix.refine it is: correct_special_position_tolerance = 1.0 , which I think is quite generous, but so far no one reported any problem related to this. Pavel On 7/31/13 10:22 AM, Alastair Fyfe wrote:
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. thanks, Alastair Fyfe _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb