[phenixbb] How to reduce clashscore value
Pavel Afonine
pafonine at lbl.gov
Sun Nov 20 20:34:21 PST 2011
> The likelihood function can then be plugged in to Bayes' law - if the
> model and data error terms are all accounted for, no other weighting
> should be necessary.
If I arbitrarily multiply the ML function (or any other - doesn't
matter) by 100, the weight will have to account for this. The one based
on ratio of gradient norms (or any other of similar kind) will do. Given
the amount and variety of targets (both, data and restraints) we need to
deal with (because each model and data quality require adequate proper
parametrization), this flexibility is very essential. Postulating
introduces rigidity, and that doesn't help to sample space when doing
optimization.
Pavel
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