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旺旺 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
1 and 2 should be the same. A quick way to compare them is to run moleman2, REad molecule A, and use the XYz MAtrix command, entering your NCS matrix from CNS. Moleman2 will spit out the rotation in Eulerian, polar, and some other coordinates. This is also the answer to your second question - just WRite the result.
Hope this helps. kmj
