Re: [ccp4bb] Refmac and links between ligands

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

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From: Paul Emsley paul {- dot -} emsley {- at -} BIOCH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2010-02-01

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Subject: Re: Refmac and links between ligands
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-02-01

Can you check your input file. It may contain contain link record
already

regards
Garib

On 1 Feb 2010, at 13:52, Jan Dohnalek wrote:

> Dear all
> I understand that when I use the Refmac keyword
> make link no
> Refmac should not apply found links.
> It keeps finding links between ligands (Na+ and ligand OH) and (I
> think) refines them as it issues a warning (not INFO), does not say
> "(not be used)" for these and the output .pdb file contains the LINK
> records newly created for these atoms.
>
> The actual distances look pretty much as if they were restrained ...
>
> Is there a way to make Refmac ignore these links?
>
> Jan Dohnalek
>
> --
> Jan Dohnalek, Ph.D
> Institute of Macromolecular Chemistry
> Academy of Sciences of the Czech Republic
> Heyrovskeho nam. 2
> 16206 Praha 6
> Czech Republic
>
> Tel: +420 296 809 390
> Fax: +420 296 809 410

CCP4bb navigation

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

Previous message:
Subject: Re: Coot- Find water
From: Paul Emsley paul {- dot -} emsley {- at -} BIOCH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2010-02-01

Next message:
Subject: 15th Annual Structural Biology Symposium
From: "Mark A {- dot -} White" white {- at -} XRAY {- dot -} UTMB {- dot -} EDU
Date: 2010-02-01