ncs axis translation

From: Tommi Kajander
Date: 25 November 2011 08:55


Hi, anybody have a script to to find a translation for 2-fold NCS (rotaion) axis based on the center of NCS symmetry..?? (ie to the midpoint of line between to heavy atoms)
This search option doenst seem to be endoed anywhere (why??) ...stupid me...

Thanks,
tommi

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From: Clemens Vonrhein

Hi Tommi,

I'm not sure, but do you already have the mid-point and want to get RT
operators only?

Or do you have the rotational component and the translation is
missing? In that case you could try GETAX (also available from the
CCP4i gui) which takes the rotation as input (plus a rough description
of shape/size) and searches for the translation in some electron
density map - as long as this is Cn/Dn symmetry (closed NCS).

If you only have the mid-point of 2 sites: check self-rotation
function for a 2-fold axis orientation and then try this mid-point
plus other pairs (symmetry-equivalent) ... ?

Cheers

Clemens

--

***************************************************************
* Clemens Vonrhein, Ph.D.     

From: Tommi Kajander
Date: 25 November 2011 10:52


yes...., ok, i got it. one point should be enough since i have the direction of the axis direction from self rotation.
just out-smarted myself. (not very difficult it appears... which i knew alraedy anyway...)

-tommi