[ccp4bb] 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: Dean Madden drm0001 {- at -} DARTMOUTH {- dot -} EDU
Date: 2008-02-07

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

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

Hi People,

I post this on behalf of my colleague. My colleague has a file containing chemical-shift values for
the 150 aa in his structure. He also has the PDB file for the crystal structure. Now, he would like
to replace the B-factor column with the CS values to make some figures.

It would be easy to yank out the column from the PDB file and paste the column containing the CS
values. However, there is only one value per residue.

I don't want to ask him to use Moleman to reset B-factor column per residue with the CS value and do
this 150 times!! Also, the number of lines per amino-acid type is different!!!

How do we do this in a less than manual way?

Thanks.
Raji

CCP4bb navigation

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

Previous message:
Subject: Re: an over refined structure
From: Dean Madden drm0001 {- at -} DARTMOUTH {- dot -} EDU
Date: 2008-02-07

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