Re: [ccp4bb] Problem in MAKE U POSITIVE

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

Previous message:
Subject: Re: Devices Suitable to Concentrate Protein Solutions in Liter Scale
From: Shao-Yang Ku s {- dot -} ku {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2009-09-03

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Subject: Re: Devices Suitable to Concentrate Protein Solutions in Liter Scale
From: Xuan Yang pattisyang {- at -} GMAIL {- dot -} COM
Date: 2009-09-03

Subject: Re: Problem in MAKE U POSITIVE
From: Martyn Winn martyn {- dot -} winn {- at -} STFC {- dot -} AC {- dot -} UK
Date: 2009-09-03

This means that some U tensors are non-positive definite (i.e. no nice
thermal ellipsoid). If by transient, you mean they have gone away by the
last cycle of refinement, then you can maybe ignore them. But probably,
you need to adjust your restraints, e.g. the SPHEricity restraint (under
Geometric parameters in the gui).

HTH
Martyn

On Wed, 2009-09-02 at 19:26 -0700, Bernhard Rupp wrote:
> Hi there â€“
>
>
>
> a transient message appears during anisotropic refinement
>
> CCP4 6.1: Refmac_5.5.0071
>
> Problem in MAKE_U_POSITIVE
>
> that seems to have no further consequences. I guess that means that
> some
>
> elements in a U tensor lead to a divergent behavior, but details evade
> me.
>
>
>
> Just curiousâ€¦.
>
> BR
>
>
>
> -----------------------------------------------------------------
>
> Bernhard Rupp
>
> br@ruppweb.org
>
> http://www.ruppweb.org/
>
> -----------------------------------------------------------------
>
> Anything is possible if you don't know
>
> what you are talking about.
>
> -----------------------------------------------------------------
>
>
>
>
>
>
--
***********************************************************************
* *
* Dr. Martyn Winn *
* *
* STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. *
* Tel: +44 1925 603455 E-mail: martyn.winn@stfc.ac.uk *
* Fax: +44 1925 603825 Skype name: martyn.winn *
* URL: http://www.ccp4.ac.uk/martyn/ *
***********************************************************************

CCP4bb navigation

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

Previous message:
Subject: Re: Devices Suitable to Concentrate Protein Solutions in Liter Scale
From: Shao-Yang Ku s {- dot -} ku {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2009-09-03

Next message:
Subject: Re: Devices Suitable to Concentrate Protein Solutions in Liter Scale
From: Xuan Yang pattisyang {- at -} GMAIL {- dot -} COM
Date: 2009-09-03