Re: [ccp4bb]: Refinement

[Paul Hubbard <phubbard@post.its.mcw.edu>]

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As I'm in the writing mood...

You CAN refine using ALL your data by using the reflections file before
running through make_cv.inp; it's usually called *.fob.

However, this means you CANNOT use the model for calculating R-free again
unless you really shake it up before further refinement. This seems a
waste of time so don't bother. Unless you have pretty low completeness, I
would recommend always using your flagged data set. But I'm sure other are
other views on whats best.

By the way there is a CNS/X-PLOR news group you can use.

ags

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Paul Hubbard
Department of Biochemistry
Medical College of Wisconsin
8701 Watertown Plank Rd.
Milwaukee
Wisconsin. 53226

Tel: 414-456-4305
Fax: 414-456-6510
WWW: http://141.106.40.30
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On Wed, 8 Nov 2000, Martin K. Safo wrote:

> Date: Wed, 08 Nov 2000 15:09:15 -0500
> From: "Martin K. Safo" <msafo@hsc.vcu.edu>
> To: "ccp4bb@dl.ac.uk" <ccp4bb@dl.ac.uk>
> Subject: [ccp4bb]: Refinement
> 
> ***  For details on how to be removed from this list visit the  ***
> ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> 
> Please bear with me for posting CNS question here.  How can I get CNS (v
> 0.5) to refine my structure using all data, including the flagged FreeR
> data.  Thanks.
> 
> Martin
>