*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
--- Ethayathulla Abdulsamath <[EMAIL PROTECTED]> wrote:
> I tried phaser it suggested me a solution in P22121.
> So i tried to interchange cell axis using sftools.
>
> I want to interchange cell axis hkl to lkh.
> where I changed the matrix
>
> 0 0 1
> 0 1 0
> 1 0 0
>
> But it didn't change cell axis.
This change-of-basis matrix has determinant -1, i.e. it changes the hand of the
basis system. Many programs will therefore reject this matrix. Try:
k,l,h
I am not sure how this translates into a sftools matrix. You have to check the
convention.
Note that this is not the only possible change-of-basis matrix. E.g. l,-k,h
should also work.
Airlie: it would be nice if Phaser showed the change-of-basis operator to the
reference setting. It is very easy. You just have to print out
space_group_type.cb_op().c().as_hkl() for re-indexing and
space_group_type.cb_op().c().as_xyz() for transforming the coordinates.
Cheers,
Ralf
__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
