Re: [ccp4bb] PHENIX & BSS refinement

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: PHENIX & BSS refinement
From: Miguel Ortiz Lombardia miguel {- dot -} ortiz-lombardia {- at -} AFMB {- dot -} UNIV-MRS {- dot -} FR
Date: 2009-02-04

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Subject: Re: PHENIX & BSS refinement
From: Pavel Afonine PAfonine {- at -} LBL {- dot -} GOV
Date: 2009-02-04

Hi Miguel,

there are limits and they are applied to total B-factor:

- minimal Biso should be positive;
- anisotropic ADP matrix is always enforced to be positive definite.

Pavel.

> Thanks, it is clear now.
> I have a last concern, though. Does phenix impose minimal values to
> the refined ADPs? I guess it does not, for I have found nothing like
> that in the documentation. But, if it does so, are they imposed to the
> individual B-factors or the B-overall is also taken into account? In
> the former case you might have problems with the refinement in a case
> as the one I described in my previous e-mail (coming from a model with
> artificially low, 'residual' B-factors).

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: PHENIX & BSS refinement
From: Miguel Ortiz Lombardia miguel {- dot -} ortiz-lombardia {- at -} AFMB {- dot -} UNIV-MRS {- dot -} FR
Date: 2009-02-04

Next message:
Subject: Re: song CRT Multiscan E540 monitor for stereo view
From: Mark Brooks mark {- dot -} x {- dot -} brooks {- at -} GMAIL {- dot -} COM
Date: 2009-02-04