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RE: [ccp4bb]: What is the CCP4 (refmac5) equivalent of an omit map?
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Something else which might deserve comment:
> My initial thought was I'll calculate an omit map, but my structure is
> refined in refmac5 with TLS and some alternative conformations so
> to go to CNS to do a simulated annealing omit map is quite a
> hassle and the Rfactors as a CNS model of my solution is much higher .
In pdb are a number of structures, where refmac TLS was used, (converted
to Uij s) and these structures show *extraordinarily* low freeR and R for
the resolution. So I wonder to what degree your higher rfactors of the CNS
model reflect just that, and also, to what degree those low TLS rfactors
reflect a truely better model?
best, br