[ccp4bb] Refmac and links between ligands

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

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Subject: Program to predict ER retention/retrieval signal motifs
From: "Chaudhry, Charu (NIH/NICHD) [F]" chaudhrc {- at -} MAIL {- dot -} NIH {- dot -} GOV
Date: 2010-01-30

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

Subject: Refmac and links between ligands
From: Jan Dohnalek dohnalek007 {- at -} GMAIL {- dot -} COM
Date: 2010-02-01

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: Program to predict ER retention/retrieval signal motifs
From: "Chaudhry, Charu (NIH/NICHD) [F]" chaudhrc {- at -} MAIL {- dot -} NIH {- dot -} GOV
Date: 2010-01-30

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