First three numbers are the Euler angles. The next 3 are the
(approximate) centre of mass of the source molecule. The last 3 are the
corresponding point in the target molecule.
(This is a little more complex than the form used in 'dm', but
unfortunately the simpler form was missing important information about
where the NCS applies. That was OK when every program required that you
provide a mask, but became a problem when we started generating masks
automatically. Unfortunately we may have to go to yet another form for a
fully general solution to the cross-crystal problem.)
Kevin
Wang wrote:
Hi everyone:
I used parrot to do density modification, and it found ncs operators.
The operators found are:
Non-crystallographic operators:
-ncs-operator
-144.47,179.729,-144.321,18.7789,16.4179,19.809,16.4383,16.4507,19.809
-ncs-operator
-10.0955,179.846,169.903,27.2216,37.7585,38.88,27.0706,40.5231,38.88
What does the operators mean? Is that Eular angle? But I changed it to
ratation matrix, the result is not so good.
Thanks
Best wishes
Wang
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