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
Ralf,
Thanks!
Andrew
----- Original Message -----
From: "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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participants (2)
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David A Carr -
Ralf W. Grosse-Kunstleve