Hi All, I want to plot the rotation function that MOLREP uses. I cannot find any output of rotation function in the logfile or in moIrep.doc. I want to locate the peaks of the rotation function, that are shortlisted as solutions, which would help me in understanding the following problem.
My protein is a tetramer with 222 point group symmetry. In I4(1) space group Molrep gives two molecules in the asymmetric unit with top two RF peak heights 10 sigma and 6 sigma. The final solution is obtained from these two peaks after TF search. Moreover in case of another protein with the same tetrameric assembly and quite the same unit cell parameters, but in space group I4(1)22, Molrep gives 1 molecule in the asymmetric unit; however, in this case the peaks from the RF are 14 and 12 sigmas and the solution is obtained from the first peak after TF search. In the input file I did not mention the number of monomers to be searched. It detects that based on Matthews coefficient. I am a bit confused as to why in space group I4(1) the RF values are so different. I would have expected them to be closer in values as they are dimer. And also, in case of I4(1)22, the RF values also should be closer. I was wondering if plotting the RF can help in understanding the relation of the peaks and their values based on their location. I believe MOLREP calculates RF over the whole unit cell, instead of the asymmetric unit. Thanks, Rajan
