A brief description of the Kearsley implementation including F77 code is in the old (1993) computing tutorial:
http://www.ruppweb.org/xray/comp/superpos.htm The example program only works with pairwise correspondence but still one gets the idea. Best wishes for 2013, BR -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of George Sheldrick Sent: Thursday, December 27, 2012 1:56 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] 3D alignment of points (atoms) A computationally elegant and probably faster approach is to use quaternions, proposed by MacKay in Acta Cryst. A40 165-166. For a recent description of this method see http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2958452/ George
