Re: [ccp4bb] Solved: PDB file column-cut-paste issues

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CCP4bb <-- 2008 <-- February 2008 <-- 07 February 2008

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Subject: Re: an over refined structure
From: Phil Jeffrey pjeffrey {- at -} PRINCETON {- dot -} EDU
Date: 2008-02-07

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Subject: Re: Solved: PDB file column-cut-paste issues
From: Raji Edayathumangalam redayath {- at -} MAIL {- dot -} ROCKEFELLER {- dot -} EDU
Date: 2008-02-07

Subject: Re: Solved: PDB file column-cut-paste issues
From: Paul Emsley paul {- dot -} emsley {- at -} BIOCH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-02-07

Raji Edayathumangalam wrote:
> Thanks everyone for all your suggestions.
>
> What's the issue? Each residue has one CSV value (per residue value) and the PDB line contains many
> lines of B-values per residue. This would leave us with no easy one-to-one line correlation between
> the B-value column and the CSV column. From what I understand, that would rule out a simple cut-and-
> paste in nedit solution. Basically, the student wanted to colour the molecule by chemical shift.

>
> The SOLUTION: Many folks have apparently had the same issue before and therefore, someone (aka
> Warren Delano, I guess), wrote a script for precisely the same and posted an example script on the
> PymolWiki.

Oh dear - too late :-(. You can do it in Coot too! (The solution is on
the Coot Wiki now)

http://xanana.ucsc.edu/~wgscott/xtal/wiki/index.php/Coot#Example_Scheme_Script_7:_Applying_arbitrary_value_to_.22B.22_factor_column

Paul.

CCP4bb navigation

CCP4bb <-- 2008 <-- February 2008 <-- 07 February 2008

Previous message:
Subject: Re: an over refined structure
From: Phil Jeffrey pjeffrey {- at -} PRINCETON {- dot -} EDU
Date: 2008-02-07

Next message:
Subject: Re: Solved: PDB file column-cut-paste issues
From: Raji Edayathumangalam redayath {- at -} MAIL {- dot -} ROCKEFELLER {- dot -} EDU
Date: 2008-02-07