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.
