Greetings, I have what seems like a relatively simple problem to solve, but have not been able to do so using the software tools I know about. I have two sets of 4 points in 3D space (atoms in PDB files). They represent equivalent positions in two tetrameric proteins. I would like to align these points in one PyMol or Coot file. I don’t want a NEW set of points representing the LSQ average of the two sets, which is what I get in Coot’s SuperPose. Instead I am looking for a way to “superimpose” one atom from each set and then rotate one set for the best fit. I’m not an intuitive expert on symmetry, but I think there is probably only one best solution to this problem, right? I also need the atomic distances to be on the same scale in the two sets of points.
Thanks for any help! Dave Waugh -- David S. Waugh, Ph.D. Macromolecular Crystallography Laboratory Center for Cancer Research National Cancer Institute Bldg. 538, Room 209A Frederick, MD 21702-1201 +1 (301) 846-1842 [email protected] http://mcl1.ncifcrf.gov/waugh.html --
