 |
 |
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 > -- EMAIL DISCLAIMER http://www.york.ac.uk/docs/disclaimer/email.htm