Re: [ccp4bb] cns and refmac refinement

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Subject: Re: Side chain chemical modifiers
From: Artem Evdokimov artem {- at -} XTALS {- dot -} ORG
Date: 2008-02-21

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From: Martin Hallberg Martin {- dot -} Hallberg {- at -} KI {- dot -} SE
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Subject: Re: cns and refmac refinement
From: Chavas Leo ccp4hnaalas {- at -} GMAIL {- dot -} COM
Date: 2008-02-21

On 21 Feb 2008, at 19:11, William Scott wrote:

> "Then I used CNS to do annealing, then use refmac to do rigid body
> refinement."
>
> That can be why the R-factors went up. Rigid-body subsequent to
> simulated
> annealing will (if anything) undo the refinement ...

...just wondering...

I guess you kept the same reflections in your Rfree set for both the
CNS .hkl and the Refmac .mtz files?..

Leo
------------------------------------------------------------
Chavas Leonard, Ph.D.
Research Associate
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Faculty of Life Sciences
The University of Manchester
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Tel: +44(0)161-275-1586
e-mail: Leonard.Chavas@manchester.ac.uk

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CCP4bb <-- 2008 <-- February 2008 <-- 21 February 2008

Previous message:
Subject: Re: Side chain chemical modifiers
From: Artem Evdokimov artem {- at -} XTALS {- dot -} ORG
Date: 2008-02-21

Next message:
Subject: Re: XDS and overlaps
From: Martin Hallberg Martin {- dot -} Hallberg {- at -} KI {- dot -} SE
Date: 2008-02-22