Dear all,
I am writing because I have a question that concerns coot or ccp4 (don't
know which one). I have 2 maps and one model. One of the map is an
experimental map that has not seen one inch of a model, the second map
is generated after refinement of a molecular replacement model. Same
molecule, obviously. They both look good. I am trying to find out which
of the 2 maps is the most informative. Hence I wish to compute a global
(real space) correlation coefficient "a la Alwyn Jones". In fact 2 sets
of numbers per map : an average real space correlation coefficient, and
a residue-per-residue correlation coefficient. The average real space
correlation coefficient I can easily compute if I have the
residue-by-residue real space correlation coefficients by writing a
small jiffy program. I'm sure that someone must have done this. I
suppose I could use CNS, but it's a bit tedious with having to generate
the mtf file... Hence I am looking for something simpler. I did not see
anything in the Phenix GUI.
Any way of doing what I want in coot? Or in ccp4i?
Thanks,
Fred.
