Hi Eleanor and others: This is a little too late to follow up on this thread. But here is a similar question concerning MR and self-rotation.
Without going into the translational part of MR, is it possible to tell the orientation of a 2-fold axis directly from the cross-rotation peaks? e.g. I have 2 top peaks from the cross-rotation function. There is also a strong 2-fold axis shown in self-rotation (kappa=180). Persumbaly then the two cross-rotation peaks are related by this 2-fold axis. From the angles of the two cross-rotation peaks, can I already tell the direction of the 2-fold axis? Regards, Weikai > ÍúÍú wrote: > >> I calculated the self-rotation function matrix with POLARRFN (named >> 1), and also got the molecular replacement solution with phaser, and >> used CNS's get_ncs_matrices to acquire the NCS matrix (named 2). >> Now what I wanted to do is to compare the results of 1 and 2. Are they >> the same or not, or which self-rotation function matrix is the right >> one of true NCS. Could you give me some suggestions? >> By the way, if I have got one molecule's PDB, and the rotation >> function matrix, are there any softwares on acquiring the other >> molecule's PDB? Many thanks > > > > POLARRFN will give you ALL symmetry equivalent rotations for your point > group. > > Only one of these will relate your molecule A to B, and its inverse > should relate B to A. Both will be listed in the POLARRFN output, plus > probably many others depending on your point group.. > > I do not know the CNS convention now but it certainly used to be > different from the CCP4 one. > > Hwever if you use he GUI > cordinarte utilities > superpose molecules > > select superpose by numbered residues > > then match A to B the log file will give you the ALPHA BETA GAMMA and > the polar angles nt e same convention as POLARRFN. > > Eleanor > >
