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)).
Roni Gordon wrote:
So I should use "re-centre" when I read in the PDB in file2 so that the
screen centre "becomes" the (rotation-centre)?
That would be a reasonable thing to do, if you wanted the transformed
map to be centred on the centre of the molecule from file2.
I am using a pre-release version;
me too. the revision number is important in this case.
is there another way to re-centre back to this point from the
CLI / GUI.
The "reset view" button?
Or you could save a view after you read in file2.
Paul.
