[cctbxbb] Error in fractional coordinates returned by cctbx

[Ralf W. Grosse-Kunstleve]

> 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.

Done:

  http://cci.lbl.gov/cctbx_build/all.html

Build 2006_12_28_2147 or later includes the new methods. E.g.:

  p1_structure = structure.expand_to_p1().sites_mod_positive()

HTH,
        Ralf





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