I havent used maprot for years. COOT does it very quickly and
automatically.
But it is tricky to get the matrices correct - can you give some more
details and I will try to help
Eleanor
On 05/27/2011 11:33 PM, Francis E Reyes wrote:
Hi all
I was just fiddling around with ncs and maps, so I tried to use maprot a
2fofc map (refined model) of a crystal that has two molecules related by
the NCS:
(given by LSQKAB over the CA's)
CROWTHER (Euler) ALPHA BETA GAMMA 95.83814 78.49123 145.66571
TRANSLATION VECTOR IN AS 95.52723 -43.90490 -3.70434
Loading the resultant PDB from lsqkab, overlaps the other molecule
perfectly.
However, when I try to load the local correlation map, it's quite poor
(borderline nonsensical). (And this is done for a number of sphere's
from 4-10A, the resolution of the data is about 3.1A).
The unit cell is:
142.0500 142.0500 137.9200 90.0000 90.0000 120.0000
P6422.
Any ideas appreciated,
Thanks!
F
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Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder
