Ab initio refinement suggestion

Hi,

Currently, the new ab initio refinement job generates and aligns the two half maps, but does not perform reconstruction. It might be useful as a final step, if ab initio refinement performed a homogeneous reconstruction (so the user can judge the resolution, and proceed directly to local refinement). Currently I do this as a separate job, but it would be convenient to include it I think.

Also (longer term), I wonder if it would be possible/worthwhile to incorporate periodic FSC filtering during ab initio refinement, perhaps every epoch, now that half sets are available? Presumably the FSC-filtered (or perhaps NU regularized?) half map should be a better estimate of the true structure than the unfiltered map, so I wonder if this would help in difficult cases?

Cheers

Oli

Dear @olibclarke ,

Thanks for the requests! Ab-initio Refinement is currently a very active area of development, and all of these suggestions make good sense! We will make note and investigate :slight_smile:

Michael

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