Re: [cctbxbb] Error in fractional coordinates returned by cctbx

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 __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com