From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Dec 12 2013 - 06:55:01 CST

Hi,

 

the changes one make with atomselect happen globally to the structure
information in VMD's memory, so not only for the atomselect object used. So
to get a pdb of it, you can use the gui or create a new atomselection with
both chains and use "writepdb" like:

 

set AB [atomselect top "segment proa prob"]

$AB writepdb "lala.pdb"

 

Norman Geist.

 

Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Ramin Ekhteiari
Gesendet: Donnerstag, 12. Dezember 2013 10:07
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: changing chain id and pdb generating

 

Hi,

 

I am working on a pdb file that has different segment id but with same chain
id,

I'm trying to change the chain id of the each segments,

I do the following commands,

>> mol new file.pdb

set A [atomselect top "segment proa"]

set B [atomselect top "segment prob"]

set $A chain A

set $B chain B

***Now I want to save them as one pdb file***

 

Would be grateful for any help

 

Cheers,

Ramin

 

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