Re: [ccp4bb] Rfree into an existing mtz...

Protein crystallography Programs for crystallography X-ray detectors
Basic tutorials:
Protein Peptide

CCP4bb navigation

CCP4bb <-- 2007 <-- May 2007 <-- 31 May 2007

Previous message:
Subject: Re: Rfree into an existing mtz...
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-05-31

Next message:
Subject: Re: Is anomalous signal a different wavelength?
From: Favre-Nicolin Vincent vincefn {- at -} USERS {- dot -} SOURCEFORGE {- dot -} NET
Date: 2007-05-31

Subject: Re: Rfree into an existing mtz...
From: "Winter, G (Graeme)" g {- dot -} winter {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-05-31

Hi James,

The easiest way I find is outside the GUI. On a command line type:

freerflag HKLIN foo.mtz HKLOUT bar.mtz
end

Then rename bar.mtz to foo.mtz, and you should find that the job is
done, with 5% of your reflections in the free set.

Cheers,

Graeme

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
James Pauff
Sent: 31 May 2007 13:39
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Rfree into an existing mtz...

Good day all,

What is the best means of getting a freeR column into an existing mtz
file? I've noticed the "Edit MTZ"
command bar in CCP4, but there are other options (such as conversion to
XPLOR and then back to MTZ) that seem to be able to accomplish the same
thing, although there appear to be changes in the reflection parameters
upon this conversion.

Basically, I just want to add a freeR column to monitor my
refinement(s).

Thank you as usual.

________________________________________________________________________
____________Looking for a deal? Find great prices on flights and hotels
with Yahoo! FareChase.
http://farechase.yahoo.com/

CCP4bb navigation

CCP4bb <-- 2007 <-- May 2007 <-- 31 May 2007

Previous message:
Subject: Re: Rfree into an existing mtz...
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-05-31

Next message:
Subject: Re: Is anomalous signal a different wavelength?
From: Favre-Nicolin Vincent vincefn {- at -} USERS {- dot -} SOURCEFORGE {- dot -} NET
Date: 2007-05-31