[phenixbb] superpose CryoEM map onto an Xray map?
pafonine at lbl.gov
Thu Oct 11 09:28:23 PDT 2018
> I am very lucky to see 2 maps of the same protein, at roughly the same
> resolution, one by Xray and the other by EM (it's not that common).
> The details from the 2 maps are however different...
> Here is my procedure, please let me know what you think:
> - convert .mrc map to .mtz ; I get F, PHIF.
> - supperpose the maps:
> map1: labels 2FOFCWT, PH2FOFCWT
> map2: F, PHIF.
> I also provided the 2 PDBs as it is clearly stated on the input files
> It worked, with the 2 maps superposed that I can look and compare.
Ok, sounds good so far. Yes, this is what I would expect!
> However, for some reason, the superposition has been done on chain C
> and D of the crystallograhic model instead of chain AB (4 chains in
> the asymmetric unit, making 2 dimers). Is there a reason there,
> choosing the closest structure, best fit? (I see that it is possible
> to define a superposition)
You can specify this manually!
> Another thing is that it creates a "supperposition in the middle",
> meaning neither on model1 nor model2 from the input, and not a
> crystallographic symmetric of model1. So I can't use the full
> crystallographic maps, I have a "simplified" version of it.
I guess this is the feature of current implementation.
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