Re: [ccp4bb] Refmac and B factors

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CCP4bb <-- 2007 <-- May 2007 <-- 10 May 2007

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Subject: Re: Program to find the center of mass
From: "Bernhard C {- dot -} Lohkamp" bernhard {- at -} CHEM {- dot -} GLA {- dot -} AC {- dot -} UK
Date: 2007-05-10

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Subject: Re: Program to find the center of mass
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-05-10

Subject: Re: Refmac and B factors
From: Flip Hoedemaeker flip {- at -} KEYDP {- dot -} COM
Date: 2007-05-10

Yes, it is available in the GUI...

Flip

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Peter
Adrian Meyer
Sent: Wednesday, May 09, 2007 23:28
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refmac and B factors

Simon,

REFI BREF OVERALL should do something close to what you're looking for (it
will refine a single B-factor for the entire model, but there shouldn't be
variation within the model).

Not sure where (or if) this is in the gui, however.

Pete

>
> Dear all,
>
> I have a structure at fairly low resolution that I am trying to refine
> with Refmac. I do not want to refine B factors so have arbitrarily set
> them all to 20 and then run refmac in the ccp4i GUI after deselecting
> the "refine temperature factors" box. However, when I look at the
> resulting pdb file my B factors vary from 2 to 90.
>
> Is Refmac just calculating my B factors or is it still refining them,
> and if the latter how can I stop it?
>
> Thanks,
>
> Simon
>

Pete Meyer
Fu Lab
BMCB grad student
Cornell University

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CCP4bb <-- 2007 <-- May 2007 <-- 10 May 2007

Previous message:
Subject: Re: Program to find the center of mass
From: "Bernhard C {- dot -} Lohkamp" bernhard {- at -} CHEM {- dot -} GLA {- dot -} AC {- dot -} UK
Date: 2007-05-10

Next message:
Subject: Re: Program to find the center of mass
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-05-10