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

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Subject: Re: PDB file column-cut-paste issues
From: Pavel Afonine pafonine {- at -} LBL {- dot -} GOV
Date: 2008-02-07

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From: Phil Jeffrey pjeffrey {- at -} PRINCETON {- dot -} EDU
Date: 2008-02-07

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

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.

It took a couple of PhDs in the lab to figure out the solution.

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.

All that was needed was a more extensive Google search :)

Your suggestions and tips will be diligently used elsewhere.

Cheers,
Raji

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

Previous message:
Subject: Re: PDB file column-cut-paste issues
From: Pavel Afonine pafonine {- at -} LBL {- dot -} GOV
Date: 2008-02-07

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