VMD-L Mailing List

From: Martin, Erik W (Erik.Martin_at_stjude.org)
Date: Fri Sep 21 2012 - 10:23:12 CDT

I wanted to append "N" and "C" to these renames and was going about it this way:

set temp [atomselect top "protein and chain A"]
set resnum [llength [lsort -unique [$temp get resid]]]
set Cter [atomselect top "resid $resnum"]
set rnmC [$Cter get resname]
set Nter [atomselect top "resid 1"]
set rnmN [$Nter get resname]
$Cter set resname "C$rnmC"
$Nter set resname "N$rnmN"

Yet, for some reason this only renames the first atom of the residue… can anyone tell me what the problem is? I'm at a loss… (or if there's an easier way to do this)

Thanks a lot,
Erik

________________________________
Email Disclaimer: www.stjude.org/emaildisclaimer
Consultation Disclaimer: www.stjude.org/consultationdisclaimer