[cctbxbb] Error in fractional coordinates returned by cctbx

[Ralf W. Grosse-Kunstleve]

> flex.fmod_positive( coordinates, 1 )
> 
> on the fractional coordinates on your sites.
> 
> Ralf, is there a better way?

No, Peter's Python loop over the scatterers is currently the best solution.

We could add .mod_positive() and .mod_short() methods to flex.xray_scatterer, and then the corresponding two-liners .sites_mod_positive() and .sites_mod_short() to xray.structure. I'll put it on my to-do list.

Cheers,
        Ralf





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