So I should use "re-centre" when I read in the PDB in file2 so that the screen centre "becomes" the (rotation-centre)? I am using a pre-release version; is there another way to re-centre back to this point from the CLI / GUI.
Thanks again, Roni On Fri, 2008-08-15 at 15:51 +0100, Paul Emsley wrote: > Roni Gordon wrote: > > I've seen the example posted in the manual... but I can't seem to get it > > to work properly. Which "rotation-center" should I be using? If I read > > in file1 and want to superpose onto file2, which molecule's center do I > > use? > > > > > The about-pt is the position to which you want the maps transformed, so > in your case, it will be at the centre (presumably) of the file2 > molecule. The about-pt is a 3-float list, like that returned by > (rotation-centre). > > If you use a modern pre-release, there is a GUI for this operation - > it's what I use these days. Note that when using the GUI the position > that the map will be transformed to is the screen centre (i.e. > (rotation-centre)). > > > Paul. > >
