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[ccp4bb]: CNS composite SA omit
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Apologies in advance for cross-contaminating bulletin boards, but I'd like
y'alls opinion, and I've been hesitant to give Yahoo all the info they
want to be allowed to post to the CNS BB.
I just made a composite simulated annealling omit map in CNS, and it looks
almost completely indistinguishable from the sigma-a weighted
2Fo-Fc. Unfortunately, it is clearly not because we've built a perfect
model. So ... is this a common result? Is it that sigma-a does such a
wondrous job of weighting the normal 2Fo-Fc, or is something running amok
with this composite SA omit map script?
Rfree is just under 30, the data extend to 2.2A in the best direction (2.5
or so in the worst), I used cartesian dynamics and a starting T of 1000,
and v1.1 of cns_solve.
Thanks,
Phoebe
Phoebe A. Rice
Asst. Prof., Dept. of Biochemistry & Molecular Biology
The University of Chicago
phone 773 834 1723
fax 773 702 0439
http://molbiol.bsd.uchicago.edu/faculty/pRice/index.html
http://bmb.bsd.uchicago.edu/