Dear Tassos,
Do you know by chance whether BLEND is available?
Best wishes,
Alex
On 27 Mar 2014, at 16:06, Tassos Papageorgiou tassos.papageorg...@btk.fi
wrote:
Hi,
You may also try BLEND to choose the optimal data sets before scaling and
merging
Foadi J, Aller P, Alguel Y, Cameron
Contact James Foadi.
http://diamond.ac.uk/Beamlines/Mx/I24/Staff/Foadi.html
Andreas
On 29/03/2014 1:21, Alexander Batyuk wrote:
Dear Tassos,
Do you know by chance whether BLEND is available?
Best wishes,
Alex
Dear Alex
BLEND will be released soon through the CCP4 Updates. In the meantime, the
easiest way to try it out is to install one of the nightly builds from
here: http://www.ccp4.ac.uk/dev/nightly/. The usual warnings apply. What
you obtain that way may not be (fully) tested, and may differ
Hi Edward
As far as Eulerian rotations go, in the 'Crowther' description the 2nd
rotation can occur either about the new (rotated) Y axis or about the old
(unrotated) Y axis, and similarly for the 3rd rotation about the new or old
Z. Obviously the same thing applies to polar angles since they
Dear CCP4BBers,
I would very much appreciate any information or resources regarding usage
of gels in order to achieve supersaturation/crystallization through liquid
diffusion. It appears to me that, although this crystallization method is
usually claimed as a powerful technique, it is very
Thanks, Ian!
I agree it may have to do with being used to computer graphics, where
x,y,z are fixed and the coordinates rotate. But it still doesn't make
sense:
If the axes rotate along with the molecule, in the catenated operators
of the polar angles, after the first two operators the z axis
There are good arguiments for using quaternions rather than Eulerian
(or other) angles anyway, this is very well explained in the paper
*Quaternions *in *molecular modeling*
Edward Berry
03/29/14 5:22 PM
Thanks, Ian!
I agree it may have to do with being used to computer graphics, where
x,y,z are fixed and the coordinates rotate. But it still doesn't make
sense:
-My mistake- in computer graphics x,y,z rotates with the atomic
coordinates relative to screen
Ed, the screen z axis is not the same axis in the molecule for the first
and last rotations, except in the special case beta = 0 or 180. The
fallacy in your argument is that you're implicitly assuming that rotations
commute, whereas of course they don't i.e. Rz.Ry.Rz is not the same as
Rz.Rz.Ry
The main reason for using Eulerian (or polar) angles is speed (not for
nothing is Crowther's implementation called the Fast Rotation Function).
Expression of the rotation in terms of Eulerian or polar angles makes it
possible to express the Patterson functions in terms of orthogonal
spherical
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