MR in CNS
msimon5 at uic.edu
Wed Mar 15 10:04:15 EST 2000
Since I am using CNS v1.0 PC filtering is done before and after tf
automatically. R factor after tf was 0.51, after simulated annealing
0.41, although I used crappy search model. Packing looks OK. The best
peak, however was number 4 that was somehow related to peak number 1 (15
degrees off in theta 1 and theta 2).
Also, I calculated maps but I have a problem transffering them into
QUANTA (don't like O). I'll figure that out with MAPMAN since QUANTA
reads CCP4 maps.
Interesting part is coming: beforehand I ran AmoRe and appearent
solution is not related to CNS solution. Rotation function solution
seems very similar, but translation is off ?! AmoRe gave me constantly
one peak whatever model I used (no loops, polyAla, etc.) only difference
was in c.c. - lower when include more side-chains and loops. Tried
refinement of that solution and R factor was 0.53.
If you have any advice do not hesitate.
-------------- next part --------------
A non-text attachment was scrubbed...
Size: 559 bytes
Desc: Card for Miljan Simonovic
Url : http://iubio.bio.indiana.edu/bionet/mm/x-plor/attachments/20000315/bcca3f16/msimon5.bin
More information about the X-plor