[cctbxbb] Error in fractional coordinates returned by cctbx

[David A Carr]

Ralf,

Thanks!

Andrew

----- Original Message -----
From: "Ralf W. Grosse-Kunstleve" <rwgk at yahoo.com>
Date: Friday, December 29, 2006 7:40 am
Subject: 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
> 
> 
> 
> 
> 
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